USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 36 THR OG1 : rot 180:sc= -0.35 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.0481 X(o=-0.56,f=-1) USER MOD Set 1.3: A 82 LYS NZ :NH3+ -133:sc= -0.157 (180deg=-0.442) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 44:sc= 0.0384 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.2!) USER MOD Single : A 12 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.1) USER MOD Single : A 13 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.1) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 27 GLN : amide:sc= -0.0381 X(o=-0.038,f=-0.35) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -74:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc=8.04e-05 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 116:sc= -3.51! USER MOD Single : A 48 MET CE :methyl 142:sc= -3.62 (180deg=-4.95!) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.27 F(o=-2.8!,f=-1.3) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 70 HIS : no HD1:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -73:sc= -0.792 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0126 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.4!) USER MOD Single : A 87 GLN : amide:sc= -0.0295 K(o=-0.029,f=-0.54) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 52:sc= 1.08 USER MOD Single : A 91 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.283 -14.415 7.618 1.00 0.00 N ATOM 2 CA GLY A 1 -38.701 -14.869 7.607 1.00 0.00 C ATOM 3 C GLY A 1 -38.913 -16.095 6.737 1.00 0.00 C ATOM 4 O GLY A 1 -38.807 -17.224 7.217 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.192 -13.576 8.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.678 -15.176 7.986 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.988 -14.175 6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.015 -15.092 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.336 -14.059 7.248 1.00 0.00 H new ATOM 10 N PRO A 2 -39.217 -15.903 5.442 1.00 0.00 N ATOM 11 CA PRO A 2 -39.444 -17.012 4.509 1.00 0.00 C ATOM 12 C PRO A 2 -38.319 -18.042 4.544 1.00 0.00 C ATOM 13 O PRO A 2 -37.261 -17.801 5.126 1.00 0.00 O ATOM 14 CB PRO A 2 -39.496 -16.321 3.145 1.00 0.00 C ATOM 15 CG PRO A 2 -39.943 -14.931 3.442 1.00 0.00 C ATOM 16 CD PRO A 2 -39.364 -14.589 4.788 1.00 0.00 C ATOM 0 HA PRO A 2 -40.347 -17.572 4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -38.520 -16.328 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -40.190 -16.825 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -39.592 -14.237 2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -41.031 -14.866 3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -38.406 -14.077 4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -40.023 -13.931 5.353 1.00 0.00 H new ATOM 24 N LEU A 3 -38.555 -19.192 3.919 1.00 0.00 N ATOM 25 CA LEU A 3 -37.561 -20.260 3.879 1.00 0.00 C ATOM 26 C LEU A 3 -36.576 -20.043 2.733 1.00 0.00 C ATOM 27 O LEU A 3 -36.926 -19.471 1.701 1.00 0.00 O ATOM 28 CB LEU A 3 -38.249 -21.619 3.730 1.00 0.00 C ATOM 29 CG LEU A 3 -38.447 -22.393 5.035 1.00 0.00 C ATOM 30 CD1 LEU A 3 -37.109 -22.643 5.714 1.00 0.00 C ATOM 31 CD2 LEU A 3 -39.386 -21.641 5.964 1.00 0.00 C ATOM 0 H LEU A 3 -39.426 -19.408 3.433 1.00 0.00 H new ATOM 0 HA LEU A 3 -37.006 -20.244 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -39.223 -21.467 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -37.662 -22.233 3.047 1.00 0.00 H new ATOM 0 HG LEU A 3 -38.898 -23.357 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -37.269 -23.195 6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -36.468 -23.224 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -36.630 -21.689 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -39.515 -22.207 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -38.964 -20.663 6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -40.354 -21.514 5.478 1.00 0.00 H new ATOM 43 N GLY A 4 -35.344 -20.505 2.922 1.00 0.00 N ATOM 44 CA GLY A 4 -34.329 -20.352 1.895 1.00 0.00 C ATOM 45 C GLY A 4 -34.108 -21.627 1.105 1.00 0.00 C ATOM 46 O GLY A 4 -35.064 -22.290 0.704 1.00 0.00 O ATOM 0 H GLY A 4 -35.030 -20.982 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.622 -19.553 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.390 -20.048 2.358 1.00 0.00 H new ATOM 50 N SER A 5 -32.844 -21.970 0.880 1.00 0.00 N ATOM 51 CA SER A 5 -32.500 -23.174 0.131 1.00 0.00 C ATOM 52 C SER A 5 -32.428 -24.388 1.058 1.00 0.00 C ATOM 53 O SER A 5 -31.720 -24.365 2.064 1.00 0.00 O ATOM 54 CB SER A 5 -31.163 -22.985 -0.587 1.00 0.00 C ATOM 55 OG SER A 5 -30.269 -22.210 0.192 1.00 0.00 O ATOM 0 H SER A 5 -32.041 -21.432 1.205 1.00 0.00 H new ATOM 0 HA SER A 5 -33.281 -23.350 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.718 -23.958 -0.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.329 -22.498 -1.548 1.00 0.00 H new ATOM 0 HG SER A 5 -30.302 -22.511 1.124 1.00 0.00 H new ATOM 61 N PRO A 6 -33.163 -25.470 0.734 1.00 0.00 N ATOM 62 CA PRO A 6 -33.173 -26.688 1.550 1.00 0.00 C ATOM 63 C PRO A 6 -31.817 -27.389 1.570 1.00 0.00 C ATOM 64 O PRO A 6 -31.240 -27.611 2.634 1.00 0.00 O ATOM 65 CB PRO A 6 -34.225 -27.574 0.876 1.00 0.00 C ATOM 66 CG PRO A 6 -34.333 -27.060 -0.518 1.00 0.00 C ATOM 67 CD PRO A 6 -34.040 -25.588 -0.447 1.00 0.00 C ATOM 0 HA PRO A 6 -33.394 -26.468 2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -33.923 -28.621 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -35.182 -27.512 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -33.626 -27.566 -1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -35.329 -27.239 -0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -33.546 -25.233 -1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -34.952 -25.002 -0.331 1.00 0.00 H new ATOM 75 N ARG A 7 -31.317 -27.737 0.389 1.00 0.00 N ATOM 76 CA ARG A 7 -30.032 -28.416 0.273 1.00 0.00 C ATOM 77 C ARG A 7 -28.893 -27.412 0.122 1.00 0.00 C ATOM 78 O ARG A 7 -29.050 -26.372 -0.518 1.00 0.00 O ATOM 79 CB ARG A 7 -30.047 -29.374 -0.919 1.00 0.00 C ATOM 80 CG ARG A 7 -31.240 -30.315 -0.926 1.00 0.00 C ATOM 81 CD ARG A 7 -31.487 -30.893 -2.309 1.00 0.00 C ATOM 82 NE ARG A 7 -30.337 -31.652 -2.798 1.00 0.00 N ATOM 83 CZ ARG A 7 -30.421 -32.846 -3.386 1.00 0.00 C ATOM 84 NH1 ARG A 7 -31.599 -33.431 -3.570 1.00 0.00 N ATOM 85 NH2 ARG A 7 -29.318 -33.456 -3.796 1.00 0.00 N ATOM 0 H ARG A 7 -31.782 -27.560 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 7 -29.866 -28.985 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -30.047 -28.793 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -29.130 -29.963 -0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -31.069 -31.125 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -32.128 -29.780 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -32.363 -31.541 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -31.711 -30.085 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 7 -29.410 -31.242 -2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -32.453 -32.967 -3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -31.650 -34.344 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -28.410 -33.012 -3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -29.378 -34.369 -4.246 1.00 0.00 H new ATOM 99 N ASN A 8 -27.747 -27.730 0.717 1.00 0.00 N ATOM 100 CA ASN A 8 -26.582 -26.856 0.650 1.00 0.00 C ATOM 101 C ASN A 8 -25.869 -26.997 -0.693 1.00 0.00 C ATOM 102 O ASN A 8 -25.628 -28.108 -1.165 1.00 0.00 O ATOM 103 CB ASN A 8 -25.614 -27.174 1.790 1.00 0.00 C ATOM 104 CG ASN A 8 -26.161 -26.760 3.142 1.00 0.00 C ATOM 105 OD1 ASN A 8 -26.533 -27.603 3.960 1.00 0.00 O ATOM 106 ND2 ASN A 8 -26.215 -25.456 3.386 1.00 0.00 N ATOM 0 H ASN A 8 -27.601 -28.587 1.251 1.00 0.00 H new ATOM 0 HA ASN A 8 -26.926 -25.827 0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -25.404 -28.244 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -24.667 -26.664 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -26.575 -25.119 4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -25.897 -24.792 2.681 1.00 0.00 H new ATOM 113 N ALA A 9 -25.537 -25.863 -1.300 1.00 0.00 N ATOM 114 CA ALA A 9 -24.853 -25.857 -2.589 1.00 0.00 C ATOM 115 C ALA A 9 -23.341 -25.946 -2.408 1.00 0.00 C ATOM 116 O ALA A 9 -22.849 -26.127 -1.295 1.00 0.00 O ATOM 117 CB ALA A 9 -25.222 -24.606 -3.370 1.00 0.00 C ATOM 0 H ALA A 9 -25.730 -24.936 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 9 -25.175 -26.733 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -24.706 -24.611 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -26.299 -24.586 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -24.926 -23.723 -2.804 1.00 0.00 H new ATOM 123 N ASN A 10 -22.609 -25.816 -3.510 1.00 0.00 N ATOM 124 CA ASN A 10 -21.152 -25.878 -3.471 1.00 0.00 C ATOM 125 C ASN A 10 -20.553 -24.481 -3.348 1.00 0.00 C ATOM 126 O ASN A 10 -21.111 -23.509 -3.857 1.00 0.00 O ATOM 127 CB ASN A 10 -20.615 -26.570 -4.726 1.00 0.00 C ATOM 128 CG ASN A 10 -20.539 -28.076 -4.569 1.00 0.00 C ATOM 129 OD1 ASN A 10 -20.244 -28.585 -3.487 1.00 0.00 O ATOM 130 ND2 ASN A 10 -20.805 -28.798 -5.651 1.00 0.00 N ATOM 0 H ASN A 10 -23.000 -25.667 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 10 -20.860 -26.457 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -21.256 -26.328 -5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -19.623 -26.181 -4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -20.769 -29.816 -5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -21.045 -28.334 -6.527 1.00 0.00 H new ATOM 137 N ASP A 11 -19.415 -24.387 -2.666 1.00 0.00 N ATOM 138 CA ASP A 11 -18.741 -23.107 -2.476 1.00 0.00 C ATOM 139 C ASP A 11 -17.842 -22.780 -3.662 1.00 0.00 C ATOM 140 O ASP A 11 -17.031 -23.604 -4.086 1.00 0.00 O ATOM 141 CB ASP A 11 -17.915 -23.128 -1.190 1.00 0.00 C ATOM 142 CG ASP A 11 -18.780 -23.100 0.055 1.00 0.00 C ATOM 143 OD1 ASP A 11 -19.767 -23.865 0.109 1.00 0.00 O ATOM 144 OD2 ASP A 11 -18.473 -22.313 0.974 1.00 0.00 O ATOM 0 H ASP A 11 -18.941 -25.181 -2.236 1.00 0.00 H new ATOM 0 HA ASP A 11 -19.505 -22.334 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -17.293 -24.023 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.242 -22.271 -1.180 1.00 0.00 H new ATOM 149 N ASN A 12 -17.990 -21.571 -4.194 1.00 0.00 N ATOM 150 CA ASN A 12 -17.191 -21.132 -5.331 1.00 0.00 C ATOM 151 C ASN A 12 -15.975 -20.335 -4.869 1.00 0.00 C ATOM 152 O ASN A 12 -16.100 -19.379 -4.102 1.00 0.00 O ATOM 153 CB ASN A 12 -18.044 -20.286 -6.279 1.00 0.00 C ATOM 154 CG ASN A 12 -18.135 -20.887 -7.667 1.00 0.00 C ATOM 155 OD1 ASN A 12 -17.227 -21.587 -8.114 1.00 0.00 O ATOM 156 ND2 ASN A 12 -19.236 -20.615 -8.358 1.00 0.00 N ATOM 0 H ASN A 12 -18.657 -20.878 -3.855 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.838 -22.017 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.047 -20.181 -5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -17.621 -19.284 -6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.354 -20.991 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -19.964 -20.030 -7.948 1.00 0.00 H new ATOM 163 N ASN A 13 -14.798 -20.734 -5.340 1.00 0.00 N ATOM 164 CA ASN A 13 -13.558 -20.057 -4.977 1.00 0.00 C ATOM 165 C ASN A 13 -12.869 -19.487 -6.214 1.00 0.00 C ATOM 166 O ASN A 13 -11.644 -19.365 -6.253 1.00 0.00 O ATOM 167 CB ASN A 13 -12.617 -21.026 -4.257 1.00 0.00 C ATOM 168 CG ASN A 13 -12.947 -21.166 -2.783 1.00 0.00 C ATOM 169 OD1 ASN A 13 -13.367 -22.229 -2.327 1.00 0.00 O ATOM 170 ND2 ASN A 13 -12.758 -20.089 -2.029 1.00 0.00 N ATOM 0 H ASN A 13 -14.677 -21.523 -5.974 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.804 -19.233 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.674 -22.005 -4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -11.590 -20.678 -4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.963 -20.123 -1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.408 -19.228 -2.449 1.00 0.00 H new ATOM 177 N GLN A 14 -13.663 -19.140 -7.224 1.00 0.00 N ATOM 178 CA GLN A 14 -13.128 -18.584 -8.462 1.00 0.00 C ATOM 179 C GLN A 14 -13.137 -17.060 -8.428 1.00 0.00 C ATOM 180 O GLN A 14 -12.094 -16.420 -8.556 1.00 0.00 O ATOM 181 CB GLN A 14 -13.937 -19.082 -9.662 1.00 0.00 C ATOM 182 CG GLN A 14 -13.185 -18.992 -10.980 1.00 0.00 C ATOM 183 CD GLN A 14 -14.086 -18.625 -12.143 1.00 0.00 C ATOM 184 OE1 GLN A 14 -15.023 -17.839 -11.994 1.00 0.00 O ATOM 185 NE2 GLN A 14 -13.807 -19.193 -13.310 1.00 0.00 N ATOM 0 H GLN A 14 -14.679 -19.234 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.096 -18.920 -8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.228 -20.118 -9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.856 -18.501 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.392 -18.249 -10.891 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.704 -19.948 -11.186 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.021 -19.838 -13.388 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.379 -18.984 -14.129 1.00 0.00 H new ATOM 194 N PHE A 15 -14.323 -16.484 -8.253 1.00 0.00 N ATOM 195 CA PHE A 15 -14.468 -15.032 -8.202 1.00 0.00 C ATOM 196 C PHE A 15 -14.409 -14.525 -6.761 1.00 0.00 C ATOM 197 O PHE A 15 -14.968 -13.476 -6.440 1.00 0.00 O ATOM 198 CB PHE A 15 -15.789 -14.608 -8.850 1.00 0.00 C ATOM 199 CG PHE A 15 -15.621 -13.993 -10.211 1.00 0.00 C ATOM 200 CD1 PHE A 15 -15.121 -12.708 -10.347 1.00 0.00 C ATOM 201 CD2 PHE A 15 -15.963 -14.700 -11.352 1.00 0.00 C ATOM 202 CE1 PHE A 15 -14.966 -12.139 -11.598 1.00 0.00 C ATOM 203 CE2 PHE A 15 -15.810 -14.137 -12.606 1.00 0.00 C ATOM 204 CZ PHE A 15 -15.311 -12.854 -12.728 1.00 0.00 C ATOM 0 H PHE A 15 -15.196 -16.999 -8.144 1.00 0.00 H new ATOM 0 HA PHE A 15 -13.639 -14.591 -8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.440 -15.478 -8.932 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -16.292 -13.894 -8.197 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -14.849 -12.145 -9.467 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.354 -15.703 -11.261 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.575 -11.136 -11.691 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -16.080 -14.699 -13.488 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.191 -12.411 -13.706 1.00 0.00 H new ATOM 214 N TYR A 16 -13.728 -15.274 -5.898 1.00 0.00 N ATOM 215 CA TYR A 16 -13.599 -14.897 -4.495 1.00 0.00 C ATOM 216 C TYR A 16 -12.589 -13.768 -4.326 1.00 0.00 C ATOM 217 O TYR A 16 -12.838 -12.800 -3.607 1.00 0.00 O ATOM 218 CB TYR A 16 -13.172 -16.107 -3.659 1.00 0.00 C ATOM 219 CG TYR A 16 -13.072 -15.817 -2.179 1.00 0.00 C ATOM 220 CD1 TYR A 16 -14.157 -15.309 -1.476 1.00 0.00 C ATOM 221 CD2 TYR A 16 -11.891 -16.051 -1.484 1.00 0.00 C ATOM 222 CE1 TYR A 16 -14.068 -15.042 -0.122 1.00 0.00 C ATOM 223 CE2 TYR A 16 -11.795 -15.787 -0.131 1.00 0.00 C ATOM 224 CZ TYR A 16 -12.886 -15.284 0.545 1.00 0.00 C ATOM 225 OH TYR A 16 -12.793 -15.019 1.892 1.00 0.00 O ATOM 0 H TYR A 16 -13.258 -16.144 -6.146 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.571 -14.546 -4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -13.886 -16.915 -3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.206 -16.462 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -15.085 -15.120 -1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -11.034 -16.446 -2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.920 -14.646 0.410 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.870 -15.974 0.394 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.894 -15.246 2.209 1.00 0.00 H new ATOM 235 N GLN A 17 -11.446 -13.898 -4.994 1.00 0.00 N ATOM 236 CA GLN A 17 -10.396 -12.889 -4.921 1.00 0.00 C ATOM 237 C GLN A 17 -10.575 -11.839 -6.015 1.00 0.00 C ATOM 238 O GLN A 17 -10.551 -12.158 -7.203 1.00 0.00 O ATOM 239 CB GLN A 17 -9.020 -13.546 -5.047 1.00 0.00 C ATOM 240 CG GLN A 17 -8.415 -13.957 -3.714 1.00 0.00 C ATOM 241 CD GLN A 17 -7.189 -14.834 -3.877 1.00 0.00 C ATOM 242 OE1 GLN A 17 -7.218 -16.025 -3.567 1.00 0.00 O ATOM 243 NE2 GLN A 17 -6.102 -14.249 -4.365 1.00 0.00 N ATOM 0 H GLN A 17 -11.224 -14.694 -5.592 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.467 -12.394 -3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.104 -14.426 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.341 -12.855 -5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.146 -13.064 -3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.164 -14.490 -3.128 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.122 -13.259 -4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.247 -14.790 -4.496 1.00 0.00 H new ATOM 252 N GLN A 18 -10.756 -10.589 -5.606 1.00 0.00 N ATOM 253 CA GLN A 18 -10.940 -9.495 -6.552 1.00 0.00 C ATOM 254 C GLN A 18 -9.692 -9.292 -7.402 1.00 0.00 C ATOM 255 O GLN A 18 -8.618 -8.991 -6.882 1.00 0.00 O ATOM 256 CB GLN A 18 -11.279 -8.203 -5.808 1.00 0.00 C ATOM 257 CG GLN A 18 -12.712 -8.147 -5.304 1.00 0.00 C ATOM 258 CD GLN A 18 -13.624 -7.371 -6.233 1.00 0.00 C ATOM 259 OE1 GLN A 18 -13.698 -7.653 -7.429 1.00 0.00 O ATOM 260 NE2 GLN A 18 -14.323 -6.384 -5.686 1.00 0.00 N ATOM 0 H GLN A 18 -10.779 -10.308 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.767 -9.756 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.601 -8.093 -4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.103 -7.356 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.093 -9.162 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.729 -7.687 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.231 -6.185 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.952 -5.825 -6.262 1.00 0.00 H new ATOM 269 N LYS A 19 -9.838 -9.457 -8.713 1.00 0.00 N ATOM 270 CA LYS A 19 -8.716 -9.289 -9.630 1.00 0.00 C ATOM 271 C LYS A 19 -8.480 -7.817 -9.936 1.00 0.00 C ATOM 272 O LYS A 19 -7.364 -7.415 -10.255 1.00 0.00 O ATOM 273 CB LYS A 19 -8.962 -10.058 -10.927 1.00 0.00 C ATOM 274 CG LYS A 19 -9.109 -11.556 -10.725 1.00 0.00 C ATOM 275 CD LYS A 19 -9.764 -12.216 -11.924 1.00 0.00 C ATOM 276 CE LYS A 19 -10.102 -13.671 -11.643 1.00 0.00 C ATOM 277 NZ LYS A 19 -11.426 -13.813 -10.979 1.00 0.00 N ATOM 0 H LYS A 19 -10.719 -9.706 -9.163 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.825 -9.690 -9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.864 -9.673 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.136 -9.871 -11.613 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.128 -11.999 -10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.704 -11.747 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.673 -11.675 -12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.096 -12.156 -12.784 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.103 -14.231 -12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.329 -14.108 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.620 -14.820 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.418 -13.300 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.167 -13.419 -11.594 1.00 0.00 H new ATOM 291 N GLN A 20 -9.536 -7.021 -9.828 1.00 0.00 N ATOM 292 CA GLN A 20 -9.447 -5.589 -10.084 1.00 0.00 C ATOM 293 C GLN A 20 -8.944 -4.854 -8.847 1.00 0.00 C ATOM 294 O GLN A 20 -8.262 -3.834 -8.950 1.00 0.00 O ATOM 295 CB GLN A 20 -10.812 -5.040 -10.502 1.00 0.00 C ATOM 296 CG GLN A 20 -11.278 -5.534 -11.862 1.00 0.00 C ATOM 297 CD GLN A 20 -12.325 -4.630 -12.484 1.00 0.00 C ATOM 298 OE1 GLN A 20 -12.033 -3.501 -12.876 1.00 0.00 O ATOM 299 NE2 GLN A 20 -13.555 -5.125 -12.577 1.00 0.00 N ATOM 0 H GLN A 20 -10.467 -7.344 -9.564 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.738 -5.428 -10.896 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.551 -5.318 -9.751 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.767 -3.951 -10.517 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.421 -5.605 -12.532 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.686 -6.539 -11.759 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.753 -6.067 -12.239 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.301 -4.563 -12.986 1.00 0.00 H new ATOM 308 N ARG A 21 -9.284 -5.386 -7.677 1.00 0.00 N ATOM 309 CA ARG A 21 -8.870 -4.795 -6.409 1.00 0.00 C ATOM 310 C ARG A 21 -7.355 -4.864 -6.242 1.00 0.00 C ATOM 311 O ARG A 21 -6.671 -3.842 -6.233 1.00 0.00 O ATOM 312 CB ARG A 21 -9.551 -5.513 -5.247 1.00 0.00 C ATOM 313 CG ARG A 21 -9.638 -4.668 -3.991 1.00 0.00 C ATOM 314 CD ARG A 21 -9.009 -5.363 -2.795 1.00 0.00 C ATOM 315 NE ARG A 21 -7.620 -4.954 -2.589 1.00 0.00 N ATOM 316 CZ ARG A 21 -6.752 -5.633 -1.843 1.00 0.00 C ATOM 317 NH1 ARG A 21 -7.125 -6.752 -1.236 1.00 0.00 N ATOM 318 NH2 ARG A 21 -5.508 -5.195 -1.707 1.00 0.00 N ATOM 0 H ARG A 21 -9.848 -6.230 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.169 -3.747 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.556 -5.808 -5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.004 -6.429 -5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.139 -3.714 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.683 -4.447 -3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.589 -5.139 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.051 -6.442 -2.940 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.298 -4.099 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.080 -7.095 -1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.457 -7.270 -0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.216 -4.337 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.843 -5.716 -1.135 1.00 0.00 H new ATOM 332 N GLN A 22 -6.841 -6.083 -6.105 1.00 0.00 N ATOM 333 CA GLN A 22 -5.410 -6.300 -5.932 1.00 0.00 C ATOM 334 C GLN A 22 -4.614 -5.784 -7.129 1.00 0.00 C ATOM 335 O GLN A 22 -3.409 -5.555 -7.028 1.00 0.00 O ATOM 336 CB GLN A 22 -5.129 -7.788 -5.721 1.00 0.00 C ATOM 337 CG GLN A 22 -5.871 -8.382 -4.535 1.00 0.00 C ATOM 338 CD GLN A 22 -4.960 -8.656 -3.354 1.00 0.00 C ATOM 339 OE1 GLN A 22 -4.106 -7.837 -3.012 1.00 0.00 O ATOM 340 NE2 GLN A 22 -5.137 -9.812 -2.725 1.00 0.00 N ATOM 0 H GLN A 22 -7.397 -6.938 -6.111 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.092 -5.740 -5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.406 -8.334 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.058 -7.931 -5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.663 -7.699 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.352 -9.311 -4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.857 -10.461 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.553 -10.051 -1.924 1.00 0.00 H new ATOM 349 N ALA A 23 -5.287 -5.606 -8.263 1.00 0.00 N ATOM 350 CA ALA A 23 -4.629 -5.121 -9.471 1.00 0.00 C ATOM 351 C ALA A 23 -4.045 -3.731 -9.260 1.00 0.00 C ATOM 352 O ALA A 23 -2.833 -3.567 -9.127 1.00 0.00 O ATOM 353 CB ALA A 23 -5.606 -5.107 -10.638 1.00 0.00 C ATOM 0 H ALA A 23 -6.285 -5.790 -8.370 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.810 -5.802 -9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.100 -4.743 -11.532 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.975 -6.117 -10.816 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.444 -4.451 -10.403 1.00 0.00 H new ATOM 359 N LEU A 24 -4.919 -2.731 -9.231 1.00 0.00 N ATOM 360 CA LEU A 24 -4.489 -1.355 -9.038 1.00 0.00 C ATOM 361 C LEU A 24 -3.836 -1.183 -7.671 1.00 0.00 C ATOM 362 O LEU A 24 -2.924 -0.376 -7.508 1.00 0.00 O ATOM 363 CB LEU A 24 -5.668 -0.392 -9.185 1.00 0.00 C ATOM 364 CG LEU A 24 -5.734 0.354 -10.518 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.423 1.081 -10.787 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.062 -0.606 -11.651 1.00 0.00 C ATOM 0 H LEU A 24 -5.926 -2.849 -9.339 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.754 -1.120 -9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.594 -0.953 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.622 0.340 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.530 1.096 -10.460 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.487 1.607 -11.740 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.234 1.799 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.608 0.359 -10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.105 -0.057 -12.592 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.290 -1.373 -11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.027 -1.077 -11.461 1.00 0.00 H new ATOM 378 N GLY A 25 -4.301 -1.947 -6.688 1.00 0.00 N ATOM 379 CA GLY A 25 -3.731 -1.846 -5.358 1.00 0.00 C ATOM 380 C GLY A 25 -2.255 -2.186 -5.360 1.00 0.00 C ATOM 381 O GLY A 25 -1.461 -1.583 -4.631 1.00 0.00 O ATOM 0 H GLY A 25 -5.054 -2.627 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.872 -0.835 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.260 -2.518 -4.682 1.00 0.00 H new ATOM 385 N GLU A 26 -1.878 -3.137 -6.207 1.00 0.00 N ATOM 386 CA GLU A 26 -0.487 -3.533 -6.324 1.00 0.00 C ATOM 387 C GLU A 26 0.343 -2.351 -6.809 1.00 0.00 C ATOM 388 O GLU A 26 1.508 -2.201 -6.441 1.00 0.00 O ATOM 389 CB GLU A 26 -0.349 -4.717 -7.286 1.00 0.00 C ATOM 390 CG GLU A 26 0.312 -5.935 -6.659 1.00 0.00 C ATOM 391 CD GLU A 26 1.439 -6.490 -7.508 1.00 0.00 C ATOM 392 OE1 GLU A 26 1.269 -6.566 -8.743 1.00 0.00 O ATOM 393 OE2 GLU A 26 2.490 -6.849 -6.937 1.00 0.00 O ATOM 0 H GLU A 26 -2.517 -3.644 -6.819 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.121 -3.845 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.338 -4.997 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.232 -4.404 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.701 -5.667 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.438 -6.711 -6.505 1.00 0.00 H new ATOM 400 N GLN A 27 -0.276 -1.503 -7.630 1.00 0.00 N ATOM 401 CA GLN A 27 0.393 -0.319 -8.156 1.00 0.00 C ATOM 402 C GLN A 27 0.836 0.587 -7.015 1.00 0.00 C ATOM 403 O GLN A 27 1.828 1.306 -7.131 1.00 0.00 O ATOM 404 CB GLN A 27 -0.525 0.435 -9.116 1.00 0.00 C ATOM 405 CG GLN A 27 -0.349 0.024 -10.567 1.00 0.00 C ATOM 406 CD GLN A 27 0.204 1.140 -11.429 1.00 0.00 C ATOM 407 OE1 GLN A 27 1.059 1.911 -10.994 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.285 1.231 -12.659 1.00 0.00 N ATOM 0 H GLN A 27 -1.240 -1.616 -7.944 1.00 0.00 H new ATOM 0 HA GLN A 27 1.277 -0.637 -8.709 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.561 0.268 -8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.335 1.504 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.321 -0.835 -10.618 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.310 -0.297 -10.968 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.993 0.569 -12.977 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.047 1.963 -13.287 1.00 0.00 H new ATOM 417 N LEU A 28 0.111 0.527 -5.900 1.00 0.00 N ATOM 418 CA LEU A 28 0.457 1.323 -4.731 1.00 0.00 C ATOM 419 C LEU A 28 1.829 0.906 -4.222 1.00 0.00 C ATOM 420 O LEU A 28 2.659 1.742 -3.862 1.00 0.00 O ATOM 421 CB LEU A 28 -0.591 1.147 -3.625 1.00 0.00 C ATOM 422 CG LEU A 28 -0.561 2.214 -2.525 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.249 3.480 -2.998 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.212 1.699 -1.246 1.00 0.00 C ATOM 0 H LEU A 28 -0.714 -0.061 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 28 0.479 2.375 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.581 1.145 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.450 0.169 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 28 0.481 2.444 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.219 4.228 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.737 3.865 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.286 3.258 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.177 2.476 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.250 1.434 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.675 0.819 -0.893 1.00 0.00 H new ATOM 436 N TYR A 29 2.060 -0.406 -4.204 1.00 0.00 N ATOM 437 CA TYR A 29 3.332 -0.959 -3.749 1.00 0.00 C ATOM 438 C TYR A 29 4.457 -0.639 -4.739 1.00 0.00 C ATOM 439 O TYR A 29 5.551 -0.246 -4.339 1.00 0.00 O ATOM 440 CB TYR A 29 3.207 -2.476 -3.553 1.00 0.00 C ATOM 441 CG TYR A 29 4.524 -3.191 -3.324 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.296 -2.934 -2.196 1.00 0.00 C ATOM 443 CD2 TYR A 29 4.992 -4.128 -4.237 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.497 -3.590 -1.987 1.00 0.00 C ATOM 445 CE2 TYR A 29 6.189 -4.788 -4.033 1.00 0.00 C ATOM 446 CZ TYR A 29 6.938 -4.514 -2.909 1.00 0.00 C ATOM 447 OH TYR A 29 8.130 -5.170 -2.702 1.00 0.00 O ATOM 0 H TYR A 29 1.380 -1.106 -4.500 1.00 0.00 H new ATOM 0 HA TYR A 29 3.584 -0.498 -2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.552 -2.667 -2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.723 -2.904 -4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.953 -2.211 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.411 -4.344 -5.121 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.085 -3.379 -1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.536 -5.516 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 29 8.296 -5.789 -3.444 1.00 0.00 H new ATOM 457 N LYS A 30 4.185 -0.806 -6.031 1.00 0.00 N ATOM 458 CA LYS A 30 5.187 -0.531 -7.060 1.00 0.00 C ATOM 459 C LYS A 30 5.602 0.939 -7.044 1.00 0.00 C ATOM 460 O LYS A 30 6.762 1.268 -7.293 1.00 0.00 O ATOM 461 CB LYS A 30 4.652 -0.899 -8.447 1.00 0.00 C ATOM 462 CG LYS A 30 4.096 -2.313 -8.537 1.00 0.00 C ATOM 463 CD LYS A 30 2.788 -2.346 -9.310 1.00 0.00 C ATOM 464 CE LYS A 30 2.639 -3.615 -10.130 1.00 0.00 C ATOM 465 NZ LYS A 30 1.647 -3.447 -11.230 1.00 0.00 N ATOM 0 H LYS A 30 3.286 -1.128 -6.390 1.00 0.00 H new ATOM 0 HA LYS A 30 6.062 -1.143 -6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.869 -0.193 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.454 -0.787 -9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.824 -2.962 -9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.937 -2.708 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.954 -2.266 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.736 -1.480 -9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.606 -3.892 -10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.328 -4.433 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.572 -4.334 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.719 -3.207 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.957 -2.683 -11.863 1.00 0.00 H new ATOM 479 N LYS A 31 4.649 1.818 -6.758 1.00 0.00 N ATOM 480 CA LYS A 31 4.918 3.251 -6.721 1.00 0.00 C ATOM 481 C LYS A 31 5.952 3.589 -5.649 1.00 0.00 C ATOM 482 O LYS A 31 6.805 4.454 -5.847 1.00 0.00 O ATOM 483 CB LYS A 31 3.625 4.025 -6.465 1.00 0.00 C ATOM 484 CG LYS A 31 3.611 5.409 -7.089 1.00 0.00 C ATOM 485 CD LYS A 31 2.874 5.409 -8.418 1.00 0.00 C ATOM 486 CE LYS A 31 3.105 6.700 -9.187 1.00 0.00 C ATOM 487 NZ LYS A 31 4.151 6.543 -10.235 1.00 0.00 N ATOM 0 H LYS A 31 3.684 1.564 -6.548 1.00 0.00 H new ATOM 0 HA LYS A 31 5.323 3.543 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.785 3.451 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.475 4.119 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.134 6.113 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.634 5.753 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.207 4.563 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.807 5.276 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.171 7.018 -9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.401 7.487 -8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.278 7.445 -10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.049 6.264 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.857 5.810 -10.911 1.00 0.00 H new ATOM 501 N VAL A 32 5.883 2.889 -4.524 1.00 0.00 N ATOM 502 CA VAL A 32 6.827 3.103 -3.436 1.00 0.00 C ATOM 503 C VAL A 32 8.129 2.365 -3.706 1.00 0.00 C ATOM 504 O VAL A 32 9.213 2.887 -3.446 1.00 0.00 O ATOM 505 CB VAL A 32 6.244 2.663 -2.084 1.00 0.00 C ATOM 506 CG1 VAL A 32 5.051 3.530 -1.706 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.852 1.198 -2.111 1.00 0.00 C ATOM 0 H VAL A 32 5.184 2.169 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 32 7.027 4.173 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 32 7.017 2.791 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.653 3.202 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.366 4.571 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.278 3.439 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.442 0.913 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.101 1.037 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.731 0.590 -2.326 1.00 0.00 H new ATOM 517 N SER A 33 8.022 1.153 -4.246 1.00 0.00 N ATOM 518 CA SER A 33 9.196 0.355 -4.569 1.00 0.00 C ATOM 519 C SER A 33 9.883 0.870 -5.834 1.00 0.00 C ATOM 520 O SER A 33 10.814 0.244 -6.340 1.00 0.00 O ATOM 521 CB SER A 33 8.807 -1.116 -4.743 1.00 0.00 C ATOM 522 OG SER A 33 9.765 -1.971 -4.143 1.00 0.00 O ATOM 0 H SER A 33 7.133 0.705 -4.468 1.00 0.00 H new ATOM 0 HA SER A 33 9.900 0.442 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.828 -1.292 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.720 -1.350 -5.804 1.00 0.00 H new ATOM 0 HG SER A 33 10.576 -1.991 -4.693 1.00 0.00 H new ATOM 528 N ALA A 34 9.424 2.017 -6.343 1.00 0.00 N ATOM 529 CA ALA A 34 10.003 2.609 -7.543 1.00 0.00 C ATOM 530 C ALA A 34 11.462 3.007 -7.324 1.00 0.00 C ATOM 531 O ALA A 34 12.134 3.455 -8.253 1.00 0.00 O ATOM 532 CB ALA A 34 9.184 3.814 -7.983 1.00 0.00 C ATOM 0 H ALA A 34 8.654 2.550 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 34 9.980 1.857 -8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.627 4.247 -8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.162 3.501 -8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.176 4.559 -7.187 1.00 0.00 H new ATOM 538 N LYS A 35 11.952 2.841 -6.097 1.00 0.00 N ATOM 539 CA LYS A 35 13.331 3.184 -5.774 1.00 0.00 C ATOM 540 C LYS A 35 14.192 1.927 -5.663 1.00 0.00 C ATOM 541 O LYS A 35 15.419 1.996 -5.751 1.00 0.00 O ATOM 542 CB LYS A 35 13.384 3.966 -4.461 1.00 0.00 C ATOM 543 CG LYS A 35 14.784 4.419 -4.080 1.00 0.00 C ATOM 544 CD LYS A 35 15.339 3.610 -2.918 1.00 0.00 C ATOM 545 CE LYS A 35 16.093 4.491 -1.934 1.00 0.00 C ATOM 546 NZ LYS A 35 17.475 3.994 -1.691 1.00 0.00 N ATOM 0 H LYS A 35 11.414 2.472 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 35 13.726 3.804 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.738 4.840 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.982 3.345 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.445 4.321 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.765 5.475 -3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.522 3.104 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.005 2.835 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.136 5.510 -2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.549 4.529 -0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.956 4.621 -1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.434 3.031 -1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.002 3.982 -2.587 1.00 0.00 H new ATOM 560 N THR A 36 13.544 0.778 -5.480 1.00 0.00 N ATOM 561 CA THR A 36 14.251 -0.495 -5.370 1.00 0.00 C ATOM 562 C THR A 36 13.268 -1.640 -5.140 1.00 0.00 C ATOM 563 O THR A 36 12.100 -1.414 -4.826 1.00 0.00 O ATOM 564 CB THR A 36 15.275 -0.448 -4.234 1.00 0.00 C ATOM 565 OG1 THR A 36 15.892 -1.711 -4.064 1.00 0.00 O ATOM 566 CG2 THR A 36 14.676 -0.048 -2.904 1.00 0.00 C ATOM 0 H THR A 36 12.530 0.703 -5.405 1.00 0.00 H new ATOM 0 HA THR A 36 14.777 -0.670 -6.308 1.00 0.00 H new ATOM 0 HB THR A 36 16.000 0.310 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 36 16.544 -1.661 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.456 -0.035 -2.143 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.234 0.945 -2.988 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.906 -0.766 -2.621 1.00 0.00 H new ATOM 574 N SER A 37 13.750 -2.868 -5.301 1.00 0.00 N ATOM 575 CA SER A 37 12.915 -4.052 -5.114 1.00 0.00 C ATOM 576 C SER A 37 12.951 -4.534 -3.664 1.00 0.00 C ATOM 577 O SER A 37 12.920 -5.734 -3.396 1.00 0.00 O ATOM 578 CB SER A 37 13.376 -5.171 -6.051 1.00 0.00 C ATOM 579 OG SER A 37 12.526 -5.273 -7.179 1.00 0.00 O ATOM 0 H SER A 37 14.715 -3.071 -5.561 1.00 0.00 H new ATOM 0 HA SER A 37 11.887 -3.781 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.398 -4.978 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.387 -6.119 -5.513 1.00 0.00 H new ATOM 0 HG SER A 37 12.842 -5.994 -7.763 1.00 0.00 H new ATOM 585 N ASN A 38 12.996 -3.587 -2.734 1.00 0.00 N ATOM 586 CA ASN A 38 13.010 -3.915 -1.314 1.00 0.00 C ATOM 587 C ASN A 38 11.605 -4.249 -0.819 1.00 0.00 C ATOM 588 O ASN A 38 10.778 -3.358 -0.629 1.00 0.00 O ATOM 589 CB ASN A 38 13.599 -2.769 -0.497 1.00 0.00 C ATOM 590 CG ASN A 38 15.006 -3.062 -0.021 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.277 -3.068 1.181 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.912 -3.304 -0.959 1.00 0.00 N ATOM 0 H ASN A 38 13.023 -2.588 -2.937 1.00 0.00 H new ATOM 0 HA ASN A 38 13.641 -4.794 -1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.604 -1.861 -1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.960 -2.575 0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.877 -3.505 -0.696 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.644 -3.289 -1.943 1.00 0.00 H new ATOM 599 N GLU A 39 11.342 -5.533 -0.613 1.00 0.00 N ATOM 600 CA GLU A 39 10.034 -5.976 -0.140 1.00 0.00 C ATOM 601 C GLU A 39 9.754 -5.458 1.267 1.00 0.00 C ATOM 602 O GLU A 39 8.599 -5.289 1.657 1.00 0.00 O ATOM 603 CB GLU A 39 9.954 -7.502 -0.156 1.00 0.00 C ATOM 604 CG GLU A 39 9.538 -8.072 -1.502 1.00 0.00 C ATOM 605 CD GLU A 39 10.597 -8.971 -2.106 1.00 0.00 C ATOM 606 OE1 GLU A 39 11.794 -8.755 -1.818 1.00 0.00 O ATOM 607 OE2 GLU A 39 10.232 -9.892 -2.866 1.00 0.00 O ATOM 0 H GLU A 39 12.014 -6.285 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 39 9.279 -5.569 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.926 -7.912 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.244 -7.829 0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.613 -8.636 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.327 -7.253 -2.190 1.00 0.00 H new ATOM 614 N GLU A 40 10.816 -5.202 2.023 1.00 0.00 N ATOM 615 CA GLU A 40 10.677 -4.699 3.384 1.00 0.00 C ATOM 616 C GLU A 40 10.499 -3.187 3.381 1.00 0.00 C ATOM 617 O GLU A 40 9.906 -2.623 4.294 1.00 0.00 O ATOM 618 CB GLU A 40 11.897 -5.080 4.222 1.00 0.00 C ATOM 619 CG GLU A 40 12.061 -6.579 4.397 1.00 0.00 C ATOM 620 CD GLU A 40 13.110 -6.934 5.431 1.00 0.00 C ATOM 621 OE1 GLU A 40 13.032 -6.407 6.561 1.00 0.00 O ATOM 622 OE2 GLU A 40 14.008 -7.741 5.112 1.00 0.00 O ATOM 0 H GLU A 40 11.780 -5.334 1.717 1.00 0.00 H new ATOM 0 HA GLU A 40 9.791 -5.154 3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.793 -4.676 3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.815 -4.613 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.105 -7.013 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.334 -7.025 3.440 1.00 0.00 H new ATOM 629 N ALA A 41 11.021 -2.542 2.345 1.00 0.00 N ATOM 630 CA ALA A 41 10.926 -1.096 2.207 1.00 0.00 C ATOM 631 C ALA A 41 9.562 -0.672 1.684 1.00 0.00 C ATOM 632 O ALA A 41 8.734 -0.138 2.422 1.00 0.00 O ATOM 633 CB ALA A 41 12.000 -0.602 1.263 1.00 0.00 C ATOM 0 H ALA A 41 11.518 -3.003 1.583 1.00 0.00 H new ATOM 0 HA ALA A 41 11.064 -0.657 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.926 0.481 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.981 -0.863 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.868 -1.067 0.286 1.00 0.00 H new ATOM 639 N ALA A 42 9.346 -0.907 0.395 1.00 0.00 N ATOM 640 CA ALA A 42 8.099 -0.550 -0.261 1.00 0.00 C ATOM 641 C ALA A 42 6.903 -1.138 0.471 1.00 0.00 C ATOM 642 O ALA A 42 5.878 -0.477 0.636 1.00 0.00 O ATOM 643 CB ALA A 42 8.121 -1.015 -1.706 1.00 0.00 C ATOM 0 H ALA A 42 10.029 -1.349 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 42 8.000 0.535 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.183 -0.743 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.950 -0.539 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.246 -2.097 -1.738 1.00 0.00 H new ATOM 649 N GLY A 43 7.043 -2.376 0.925 1.00 0.00 N ATOM 650 CA GLY A 43 5.965 -3.018 1.646 1.00 0.00 C ATOM 651 C GLY A 43 5.696 -2.336 2.969 1.00 0.00 C ATOM 652 O GLY A 43 4.580 -2.382 3.485 1.00 0.00 O ATOM 0 H GLY A 43 7.881 -2.945 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.060 -3.003 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.215 -4.065 1.820 1.00 0.00 H new ATOM 656 N LYS A 44 6.725 -1.695 3.513 1.00 0.00 N ATOM 657 CA LYS A 44 6.600 -0.993 4.781 1.00 0.00 C ATOM 658 C LYS A 44 5.782 0.278 4.615 1.00 0.00 C ATOM 659 O LYS A 44 4.689 0.405 5.168 1.00 0.00 O ATOM 660 CB LYS A 44 7.981 -0.643 5.332 1.00 0.00 C ATOM 661 CG LYS A 44 8.078 -0.758 6.842 1.00 0.00 C ATOM 662 CD LYS A 44 7.291 0.342 7.536 1.00 0.00 C ATOM 663 CE LYS A 44 6.237 -0.230 8.470 1.00 0.00 C ATOM 664 NZ LYS A 44 5.832 0.747 9.518 1.00 0.00 N ATOM 0 H LYS A 44 7.654 -1.648 3.094 1.00 0.00 H new ATOM 0 HA LYS A 44 6.089 -1.652 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.722 -1.300 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.234 0.375 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.702 -1.731 7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.124 -0.706 7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.973 0.977 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.812 0.974 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.362 -0.525 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.624 -1.132 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.150 0.301 10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.671 1.048 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.392 1.575 9.069 1.00 0.00 H new ATOM 678 N ILE A 45 6.323 1.220 3.853 1.00 0.00 N ATOM 679 CA ILE A 45 5.645 2.483 3.625 1.00 0.00 C ATOM 680 C ILE A 45 4.283 2.270 2.977 1.00 0.00 C ATOM 681 O ILE A 45 3.342 3.018 3.240 1.00 0.00 O ATOM 682 CB ILE A 45 6.495 3.444 2.774 1.00 0.00 C ATOM 683 CG1 ILE A 45 6.941 2.796 1.469 1.00 0.00 C ATOM 684 CG2 ILE A 45 7.706 3.908 3.566 1.00 0.00 C ATOM 685 CD1 ILE A 45 7.766 3.734 0.614 1.00 0.00 C ATOM 0 H ILE A 45 7.225 1.131 3.386 1.00 0.00 H new ATOM 0 HA ILE A 45 5.496 2.942 4.602 1.00 0.00 H new ATOM 0 HB ILE A 45 5.874 4.304 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.524 1.902 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.064 2.473 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.301 4.587 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.375 4.425 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.311 3.045 3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.060 3.226 -0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.175 4.616 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.658 4.036 1.162 1.00 0.00 H new ATOM 697 N THR A 46 4.166 1.231 2.153 1.00 0.00 N ATOM 698 CA THR A 46 2.894 0.925 1.510 1.00 0.00 C ATOM 699 C THR A 46 1.845 0.617 2.571 1.00 0.00 C ATOM 700 O THR A 46 0.663 0.911 2.395 1.00 0.00 O ATOM 701 CB THR A 46 3.036 -0.258 0.546 1.00 0.00 C ATOM 702 OG1 THR A 46 3.828 0.099 -0.569 1.00 0.00 O ATOM 703 CG2 THR A 46 1.712 -0.765 0.011 1.00 0.00 C ATOM 0 H THR A 46 4.928 0.595 1.918 1.00 0.00 H new ATOM 0 HA THR A 46 2.579 1.794 0.932 1.00 0.00 H new ATOM 0 HB THR A 46 3.502 -1.049 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.645 -0.443 -0.577 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.889 -1.602 -0.664 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.086 -1.094 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.207 0.036 -0.529 1.00 0.00 H new ATOM 711 N GLY A 47 2.292 0.034 3.683 1.00 0.00 N ATOM 712 CA GLY A 47 1.381 -0.291 4.762 1.00 0.00 C ATOM 713 C GLY A 47 0.735 0.953 5.332 1.00 0.00 C ATOM 714 O GLY A 47 -0.422 0.927 5.749 1.00 0.00 O ATOM 0 H GLY A 47 3.266 -0.217 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.609 -0.969 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.920 -0.816 5.550 1.00 0.00 H new ATOM 718 N MET A 48 1.481 2.055 5.327 1.00 0.00 N ATOM 719 CA MET A 48 0.961 3.323 5.822 1.00 0.00 C ATOM 720 C MET A 48 -0.090 3.847 4.854 1.00 0.00 C ATOM 721 O MET A 48 -1.186 4.235 5.257 1.00 0.00 O ATOM 722 CB MET A 48 2.087 4.343 5.987 1.00 0.00 C ATOM 723 CG MET A 48 2.892 4.153 7.262 1.00 0.00 C ATOM 724 SD MET A 48 4.373 3.158 7.005 1.00 0.00 S ATOM 725 CE MET A 48 5.623 4.436 6.915 1.00 0.00 C ATOM 0 H MET A 48 2.442 2.094 4.987 1.00 0.00 H new ATOM 0 HA MET A 48 0.507 3.163 6.800 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.757 4.275 5.130 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.662 5.347 5.981 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.178 5.128 7.656 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.265 3.677 8.016 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.530 4.093 7.413 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.843 4.656 5.871 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.258 5.338 7.407 1.00 0.00 H new ATOM 735 N ILE A 49 0.246 3.826 3.563 1.00 0.00 N ATOM 736 CA ILE A 49 -0.675 4.268 2.523 1.00 0.00 C ATOM 737 C ILE A 49 -1.761 3.213 2.289 1.00 0.00 C ATOM 738 O ILE A 49 -2.643 3.384 1.450 1.00 0.00 O ATOM 739 CB ILE A 49 0.068 4.546 1.198 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.308 5.405 1.453 1.00 0.00 C ATOM 741 CG2 ILE A 49 -0.851 5.229 0.194 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.592 4.771 0.964 1.00 0.00 C ATOM 0 H ILE A 49 1.150 3.507 3.216 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.136 5.195 2.863 1.00 0.00 H new ATOM 0 HB ILE A 49 0.383 3.591 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.179 6.370 0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.392 5.599 2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.305 5.415 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.707 4.586 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.200 6.176 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.430 5.435 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.744 3.819 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.528 4.602 -0.111 1.00 0.00 H new ATOM 754 N LEU A 50 -1.703 2.128 3.060 1.00 0.00 N ATOM 755 CA LEU A 50 -2.688 1.059 2.956 1.00 0.00 C ATOM 756 C LEU A 50 -4.009 1.473 3.610 1.00 0.00 C ATOM 757 O LEU A 50 -4.903 0.649 3.797 1.00 0.00 O ATOM 758 CB LEU A 50 -2.153 -0.218 3.609 1.00 0.00 C ATOM 759 CG LEU A 50 -2.186 -1.461 2.718 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.589 -1.697 2.181 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.190 -1.325 1.575 1.00 0.00 C ATOM 0 H LEU A 50 -0.982 1.968 3.764 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.874 0.865 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.125 -0.043 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.734 -0.419 4.509 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.901 -2.324 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.592 -2.585 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.278 -1.841 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.904 -0.834 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.227 -2.218 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.443 -0.452 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.185 -1.207 1.980 1.00 0.00 H new ATOM 773 N ASP A 51 -4.130 2.761 3.944 1.00 0.00 N ATOM 774 CA ASP A 51 -5.340 3.284 4.559 1.00 0.00 C ATOM 775 C ASP A 51 -6.403 3.549 3.499 1.00 0.00 C ATOM 776 O ASP A 51 -7.599 3.544 3.793 1.00 0.00 O ATOM 777 CB ASP A 51 -5.032 4.572 5.326 1.00 0.00 C ATOM 778 CG ASP A 51 -6.247 5.123 6.047 1.00 0.00 C ATOM 779 OD1 ASP A 51 -6.701 4.483 7.019 1.00 0.00 O ATOM 780 OD2 ASP A 51 -6.744 6.194 5.641 1.00 0.00 O ATOM 0 H ASP A 51 -3.399 3.457 3.796 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.721 2.540 5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.240 4.379 6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.654 5.323 4.632 1.00 0.00 H new ATOM 785 N LEU A 52 -5.964 3.762 2.258 1.00 0.00 N ATOM 786 CA LEU A 52 -6.891 4.005 1.163 1.00 0.00 C ATOM 787 C LEU A 52 -7.692 2.737 0.882 1.00 0.00 C ATOM 788 O LEU A 52 -7.124 1.648 0.808 1.00 0.00 O ATOM 789 CB LEU A 52 -6.129 4.440 -0.092 1.00 0.00 C ATOM 790 CG LEU A 52 -5.543 5.855 -0.045 1.00 0.00 C ATOM 791 CD1 LEU A 52 -6.615 6.869 0.315 1.00 0.00 C ATOM 792 CD2 LEU A 52 -4.391 5.926 0.945 1.00 0.00 C ATOM 0 H LEU A 52 -4.979 3.770 1.992 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.575 4.806 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.317 3.734 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.801 4.371 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.161 6.097 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.177 7.867 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.408 6.841 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.030 6.628 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.989 6.939 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.749 5.660 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.608 5.230 0.643 1.00 0.00 H new ATOM 804 N PRO A 53 -9.022 2.847 0.727 1.00 0.00 N ATOM 805 CA PRO A 53 -9.864 1.681 0.463 1.00 0.00 C ATOM 806 C PRO A 53 -9.404 0.926 -0.779 1.00 0.00 C ATOM 807 O PRO A 53 -8.613 1.437 -1.571 1.00 0.00 O ATOM 808 CB PRO A 53 -11.265 2.259 0.261 1.00 0.00 C ATOM 809 CG PRO A 53 -11.229 3.629 0.856 1.00 0.00 C ATOM 810 CD PRO A 53 -9.799 4.095 0.797 1.00 0.00 C ATOM 0 HA PRO A 53 -9.823 0.958 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.523 2.299 -0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.018 1.640 0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.879 4.307 0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.587 3.612 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.620 4.726 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.534 4.682 1.676 1.00 0.00 H new ATOM 818 N PRO A 54 -9.884 -0.313 -0.955 1.00 0.00 N ATOM 819 CA PRO A 54 -9.513 -1.157 -2.095 1.00 0.00 C ATOM 820 C PRO A 54 -9.518 -0.414 -3.437 1.00 0.00 C ATOM 821 O PRO A 54 -8.463 -0.138 -4.002 1.00 0.00 O ATOM 822 CB PRO A 54 -10.581 -2.246 -2.065 1.00 0.00 C ATOM 823 CG PRO A 54 -10.929 -2.383 -0.626 1.00 0.00 C ATOM 824 CD PRO A 54 -10.820 -1.002 -0.043 1.00 0.00 C ATOM 0 HA PRO A 54 -8.491 -1.527 -2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.451 -1.966 -2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.204 -3.184 -2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.937 -2.780 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.251 -3.074 -0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.788 -0.503 -0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.440 -1.027 0.978 1.00 0.00 H new ATOM 832 N GLN A 55 -10.707 -0.103 -3.943 1.00 0.00 N ATOM 833 CA GLN A 55 -10.838 0.599 -5.221 1.00 0.00 C ATOM 834 C GLN A 55 -10.513 2.087 -5.085 1.00 0.00 C ATOM 835 O GLN A 55 -9.974 2.699 -6.007 1.00 0.00 O ATOM 836 CB GLN A 55 -12.252 0.431 -5.783 1.00 0.00 C ATOM 837 CG GLN A 55 -12.606 -1.006 -6.132 1.00 0.00 C ATOM 838 CD GLN A 55 -13.103 -1.794 -4.936 1.00 0.00 C ATOM 839 OE1 GLN A 55 -12.359 -2.827 -4.558 1.00 0.00 O flip ATOM 840 NE2 GLN A 55 -14.144 -1.479 -4.357 1.00 0.00 N flip ATOM 0 H GLN A 55 -11.594 -0.324 -3.491 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.119 0.155 -5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.970 0.805 -5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.354 1.048 -6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.372 -1.009 -6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.729 -1.501 -6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.685 -0.677 -4.681 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.464 -2.020 -3.554 1.00 0.00 H new ATOM 849 N GLU A 56 -10.854 2.668 -3.936 1.00 0.00 N ATOM 850 CA GLU A 56 -10.608 4.090 -3.690 1.00 0.00 C ATOM 851 C GLU A 56 -9.119 4.419 -3.684 1.00 0.00 C ATOM 852 O GLU A 56 -8.739 5.589 -3.714 1.00 0.00 O ATOM 853 CB GLU A 56 -11.226 4.516 -2.358 1.00 0.00 C ATOM 854 CG GLU A 56 -12.595 5.156 -2.494 1.00 0.00 C ATOM 855 CD GLU A 56 -13.717 4.223 -2.081 1.00 0.00 C ATOM 856 OE1 GLU A 56 -13.572 3.545 -1.042 1.00 0.00 O ATOM 857 OE2 GLU A 56 -14.737 4.168 -2.799 1.00 0.00 O ATOM 0 H GLU A 56 -11.301 2.178 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.075 4.641 -4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.306 3.643 -1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.554 5.219 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.633 6.058 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.747 5.466 -3.528 1.00 0.00 H new ATOM 864 N VAL A 57 -8.276 3.395 -3.644 1.00 0.00 N ATOM 865 CA VAL A 57 -6.840 3.615 -3.633 1.00 0.00 C ATOM 866 C VAL A 57 -6.293 3.732 -5.053 1.00 0.00 C ATOM 867 O VAL A 57 -5.271 4.378 -5.276 1.00 0.00 O ATOM 868 CB VAL A 57 -6.098 2.499 -2.870 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.147 1.181 -3.629 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.664 2.916 -2.595 1.00 0.00 C ATOM 0 H VAL A 57 -8.560 2.416 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.665 4.556 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.604 2.344 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.615 0.416 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.185 0.877 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.676 1.305 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.151 2.120 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.152 3.104 -3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.658 3.824 -1.992 1.00 0.00 H new ATOM 880 N PHE A 58 -6.981 3.108 -6.010 1.00 0.00 N ATOM 881 CA PHE A 58 -6.553 3.148 -7.412 1.00 0.00 C ATOM 882 C PHE A 58 -6.249 4.580 -7.866 1.00 0.00 C ATOM 883 O PHE A 58 -5.144 4.865 -8.323 1.00 0.00 O ATOM 884 CB PHE A 58 -7.609 2.537 -8.349 1.00 0.00 C ATOM 885 CG PHE A 58 -7.994 1.114 -8.049 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.454 0.427 -6.973 1.00 0.00 C ATOM 887 CD2 PHE A 58 -8.913 0.464 -8.859 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.823 -0.878 -6.714 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.285 -0.838 -8.602 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.740 -1.509 -7.530 1.00 0.00 C ATOM 0 H PHE A 58 -7.832 2.571 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.642 2.553 -7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.506 3.154 -8.308 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.234 2.586 -9.371 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.737 0.917 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.343 0.985 -9.702 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.395 -1.404 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.003 -1.331 -9.240 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.030 -2.529 -7.328 1.00 0.00 H new ATOM 900 N PRO A 59 -7.226 5.506 -7.757 1.00 0.00 N ATOM 901 CA PRO A 59 -7.037 6.903 -8.174 1.00 0.00 C ATOM 902 C PRO A 59 -5.824 7.551 -7.522 1.00 0.00 C ATOM 903 O PRO A 59 -5.157 8.390 -8.125 1.00 0.00 O ATOM 904 CB PRO A 59 -8.322 7.595 -7.712 1.00 0.00 C ATOM 905 CG PRO A 59 -9.335 6.508 -7.637 1.00 0.00 C ATOM 906 CD PRO A 59 -8.585 5.274 -7.225 1.00 0.00 C ATOM 0 HA PRO A 59 -6.856 6.980 -9.246 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.186 8.076 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.627 8.372 -8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.115 6.750 -6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.825 6.364 -8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.577 5.151 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.032 4.373 -7.645 1.00 0.00 H new ATOM 914 N LEU A 60 -5.545 7.160 -6.287 1.00 0.00 N ATOM 915 CA LEU A 60 -4.412 7.704 -5.551 1.00 0.00 C ATOM 916 C LEU A 60 -3.101 7.173 -6.114 1.00 0.00 C ATOM 917 O LEU A 60 -2.213 7.940 -6.486 1.00 0.00 O ATOM 918 CB LEU A 60 -4.525 7.341 -4.070 1.00 0.00 C ATOM 919 CG LEU A 60 -3.261 7.593 -3.236 1.00 0.00 C ATOM 920 CD1 LEU A 60 -3.443 8.793 -2.329 1.00 0.00 C ATOM 921 CD2 LEU A 60 -2.897 6.356 -2.427 1.00 0.00 C ATOM 0 H LEU A 60 -6.088 6.467 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.423 8.789 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.347 7.909 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.789 6.287 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.440 7.808 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.534 8.951 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.647 9.678 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.279 8.615 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.999 6.555 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.718 6.106 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.713 5.521 -3.103 1.00 0.00 H new ATOM 933 N LEU A 61 -2.984 5.852 -6.152 1.00 0.00 N ATOM 934 CA LEU A 61 -1.774 5.205 -6.644 1.00 0.00 C ATOM 935 C LEU A 61 -1.534 5.464 -8.132 1.00 0.00 C ATOM 936 O LEU A 61 -0.537 5.002 -8.687 1.00 0.00 O ATOM 937 CB LEU A 61 -1.828 3.696 -6.396 1.00 0.00 C ATOM 938 CG LEU A 61 -3.161 3.015 -6.721 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.108 2.351 -8.083 1.00 0.00 C ATOM 940 CD2 LEU A 61 -3.505 1.996 -5.647 1.00 0.00 C ATOM 0 H LEU A 61 -3.713 5.207 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.944 5.642 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.045 3.221 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.593 3.510 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.940 3.777 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.065 1.874 -8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.902 3.102 -8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.319 1.599 -8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.455 1.519 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.721 1.240 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.586 2.497 -4.683 1.00 0.00 H new ATOM 952 N GLU A 62 -2.439 6.190 -8.784 1.00 0.00 N ATOM 953 CA GLU A 62 -2.290 6.478 -10.206 1.00 0.00 C ATOM 954 C GLU A 62 -1.829 7.916 -10.432 1.00 0.00 C ATOM 955 O GLU A 62 -1.406 8.273 -11.531 1.00 0.00 O ATOM 956 CB GLU A 62 -3.614 6.242 -10.934 1.00 0.00 C ATOM 957 CG GLU A 62 -3.999 4.777 -11.037 1.00 0.00 C ATOM 958 CD GLU A 62 -3.079 3.996 -11.951 1.00 0.00 C ATOM 959 OE1 GLU A 62 -3.041 4.305 -13.161 1.00 0.00 O ATOM 960 OE2 GLU A 62 -2.394 3.075 -11.458 1.00 0.00 O ATOM 0 H GLU A 62 -3.275 6.586 -8.354 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.531 5.806 -10.606 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.406 6.781 -10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.547 6.663 -11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.983 4.330 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.022 4.699 -11.405 1.00 0.00 H new ATOM 967 N SER A 63 -1.910 8.737 -9.389 1.00 0.00 N ATOM 968 CA SER A 63 -1.498 10.131 -9.483 1.00 0.00 C ATOM 969 C SER A 63 -0.228 10.381 -8.677 1.00 0.00 C ATOM 970 O SER A 63 -0.156 10.052 -7.493 1.00 0.00 O ATOM 971 CB SER A 63 -2.619 11.048 -8.988 1.00 0.00 C ATOM 972 OG SER A 63 -2.193 12.400 -8.951 1.00 0.00 O ATOM 0 H SER A 63 -2.257 8.460 -8.471 1.00 0.00 H new ATOM 0 HA SER A 63 -1.290 10.352 -10.530 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.486 10.954 -9.642 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.936 10.736 -7.993 1.00 0.00 H new ATOM 0 HG SER A 63 -2.927 12.966 -8.633 1.00 0.00 H new ATOM 978 N ASP A 64 0.774 10.964 -9.328 1.00 0.00 N ATOM 979 CA ASP A 64 2.044 11.259 -8.675 1.00 0.00 C ATOM 980 C ASP A 64 1.851 12.247 -7.528 1.00 0.00 C ATOM 981 O ASP A 64 2.306 12.010 -6.409 1.00 0.00 O ATOM 982 CB ASP A 64 3.040 11.824 -9.691 1.00 0.00 C ATOM 983 CG ASP A 64 4.465 11.383 -9.417 1.00 0.00 C ATOM 984 OD1 ASP A 64 4.910 11.500 -8.255 1.00 0.00 O ATOM 985 OD2 ASP A 64 5.136 10.921 -10.364 1.00 0.00 O ATOM 0 H ASP A 64 0.730 11.242 -10.309 1.00 0.00 H new ATOM 0 HA ASP A 64 2.440 10.330 -8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.751 11.506 -10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.991 12.913 -9.676 1.00 0.00 H new ATOM 990 N GLU A 65 1.172 13.354 -7.814 1.00 0.00 N ATOM 991 CA GLU A 65 0.916 14.382 -6.809 1.00 0.00 C ATOM 992 C GLU A 65 0.183 13.805 -5.603 1.00 0.00 C ATOM 993 O GLU A 65 0.627 13.953 -4.465 1.00 0.00 O ATOM 994 CB GLU A 65 0.094 15.520 -7.414 1.00 0.00 C ATOM 995 CG GLU A 65 0.921 16.496 -8.231 1.00 0.00 C ATOM 996 CD GLU A 65 0.068 17.396 -9.102 1.00 0.00 C ATOM 997 OE1 GLU A 65 -0.970 16.922 -9.607 1.00 0.00 O ATOM 998 OE2 GLU A 65 0.438 18.576 -9.278 1.00 0.00 O ATOM 0 H GLU A 65 0.788 13.563 -8.736 1.00 0.00 H new ATOM 0 HA GLU A 65 1.879 14.768 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.686 15.097 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.406 16.063 -6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.521 17.110 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.616 15.940 -8.860 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.945 13.154 -5.863 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.746 12.559 -4.800 1.00 0.00 C ATOM 1007 C LEU A 66 -0.934 11.536 -4.012 1.00 0.00 C ATOM 1008 O LEU A 66 -1.207 11.283 -2.839 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.994 11.901 -5.392 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.305 12.279 -4.705 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.288 11.822 -3.256 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.536 13.780 -4.793 1.00 0.00 C ATOM 0 H LEU A 66 -1.325 13.025 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.050 13.350 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.063 12.168 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.874 10.819 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.127 11.777 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.228 12.097 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.164 10.740 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.460 12.301 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.474 14.033 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.715 14.304 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.585 14.080 -5.840 1.00 0.00 H new ATOM 1024 N PHE A 67 0.064 10.953 -4.664 1.00 0.00 N ATOM 1025 CA PHE A 67 0.913 9.962 -4.022 1.00 0.00 C ATOM 1026 C PHE A 67 1.951 10.627 -3.127 1.00 0.00 C ATOM 1027 O PHE A 67 2.105 10.258 -1.966 1.00 0.00 O ATOM 1028 CB PHE A 67 1.614 9.091 -5.065 1.00 0.00 C ATOM 1029 CG PHE A 67 1.993 7.742 -4.533 1.00 0.00 C ATOM 1030 CD1 PHE A 67 1.023 6.778 -4.330 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.310 7.439 -4.221 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.356 5.539 -3.831 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.647 6.198 -3.716 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.665 5.247 -3.521 1.00 0.00 C ATOM 0 H PHE A 67 0.304 11.150 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 67 0.273 9.331 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.959 8.966 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.510 9.603 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.007 6.999 -4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.080 8.181 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.588 4.794 -3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.675 5.972 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.924 4.276 -3.126 1.00 0.00 H new ATOM 1044 N GLU A 68 2.660 11.605 -3.679 1.00 0.00 N ATOM 1045 CA GLU A 68 3.694 12.323 -2.939 1.00 0.00 C ATOM 1046 C GLU A 68 3.244 12.670 -1.521 1.00 0.00 C ATOM 1047 O GLU A 68 3.981 12.446 -0.563 1.00 0.00 O ATOM 1048 CB GLU A 68 4.084 13.598 -3.686 1.00 0.00 C ATOM 1049 CG GLU A 68 4.980 13.344 -4.886 1.00 0.00 C ATOM 1050 CD GLU A 68 5.813 14.553 -5.257 1.00 0.00 C ATOM 1051 OE1 GLU A 68 5.966 15.454 -4.405 1.00 0.00 O ATOM 1052 OE2 GLU A 68 6.312 14.602 -6.401 1.00 0.00 O ATOM 0 H GLU A 68 2.538 11.921 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 68 4.559 11.664 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.179 14.106 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.594 14.272 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.641 12.504 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.366 13.055 -5.739 1.00 0.00 H new ATOM 1059 N GLN A 69 2.040 13.220 -1.392 1.00 0.00 N ATOM 1060 CA GLN A 69 1.505 13.600 -0.084 1.00 0.00 C ATOM 1061 C GLN A 69 1.417 12.395 0.850 1.00 0.00 C ATOM 1062 O GLN A 69 2.014 12.384 1.926 1.00 0.00 O ATOM 1063 CB GLN A 69 0.123 14.237 -0.239 1.00 0.00 C ATOM 1064 CG GLN A 69 0.119 15.481 -1.111 1.00 0.00 C ATOM 1065 CD GLN A 69 0.345 16.752 -0.316 1.00 0.00 C ATOM 1066 OE1 GLN A 69 1.296 16.852 0.460 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -0.531 17.732 -0.505 1.00 0.00 N ATOM 0 H GLN A 69 1.415 13.413 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 69 2.189 14.326 0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.560 13.503 -0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.262 14.494 0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.895 15.390 -1.871 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.834 15.550 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.304 17.606 -1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.430 18.611 0.003 1.00 0.00 H new ATOM 1076 N HIS A 70 0.659 11.388 0.439 1.00 0.00 N ATOM 1077 CA HIS A 70 0.490 10.189 1.252 1.00 0.00 C ATOM 1078 C HIS A 70 1.826 9.475 1.426 1.00 0.00 C ATOM 1079 O HIS A 70 2.256 9.198 2.547 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.536 9.249 0.618 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.903 9.370 1.219 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.224 8.872 2.463 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -3.035 9.942 0.743 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.492 9.129 2.728 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -4.006 9.779 1.700 1.00 0.00 N ATOM 0 H HIS A 70 0.154 11.376 -0.447 1.00 0.00 H new ATOM 0 HA HIS A 70 0.123 10.488 2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.597 9.457 -0.450 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.190 8.221 0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.152 10.434 -0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.018 8.855 3.630 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.969 10.107 1.628 1.00 0.00 H new ATOM 1093 N TYR A 71 2.484 9.192 0.310 1.00 0.00 N ATOM 1094 CA TYR A 71 3.778 8.522 0.328 1.00 0.00 C ATOM 1095 C TYR A 71 4.838 9.381 1.030 1.00 0.00 C ATOM 1096 O TYR A 71 5.909 8.887 1.381 1.00 0.00 O ATOM 1097 CB TYR A 71 4.201 8.188 -1.109 1.00 0.00 C ATOM 1098 CG TYR A 71 5.696 8.098 -1.328 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.393 6.931 -1.044 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.405 9.182 -1.827 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.757 6.848 -1.251 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.767 9.108 -2.039 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.440 7.938 -1.748 1.00 0.00 C ATOM 1104 OH TYR A 71 9.800 7.858 -1.956 1.00 0.00 O ATOM 0 H TYR A 71 2.141 9.417 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 71 3.687 7.596 0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.749 7.238 -1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.795 8.947 -1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.861 6.075 -0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.882 10.099 -2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.285 5.934 -1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.303 9.960 -2.430 1.00 0.00 H new ATOM 0 HH TYR A 71 10.127 8.711 -2.310 1.00 0.00 H new ATOM 1114 N LYS A 72 4.534 10.664 1.240 1.00 0.00 N ATOM 1115 CA LYS A 72 5.467 11.570 1.906 1.00 0.00 C ATOM 1116 C LYS A 72 5.742 11.109 3.334 1.00 0.00 C ATOM 1117 O LYS A 72 6.876 10.790 3.690 1.00 0.00 O ATOM 1118 CB LYS A 72 4.912 12.998 1.929 1.00 0.00 C ATOM 1119 CG LYS A 72 5.825 14.017 1.272 1.00 0.00 C ATOM 1120 CD LYS A 72 7.191 14.052 1.940 1.00 0.00 C ATOM 1121 CE LYS A 72 8.242 13.343 1.101 1.00 0.00 C ATOM 1122 NZ LYS A 72 9.484 14.153 0.969 1.00 0.00 N ATOM 0 H LYS A 72 3.653 11.095 0.959 1.00 0.00 H new ATOM 0 HA LYS A 72 6.400 11.559 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.945 13.011 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.737 13.294 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.941 13.775 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.367 15.005 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.491 15.087 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.129 13.581 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.482 12.382 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.837 13.135 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.176 13.636 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.260 15.060 0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.885 14.330 1.912 1.00 0.00 H new ATOM 1136 N GLU A 73 4.691 11.089 4.147 1.00 0.00 N ATOM 1137 CA GLU A 73 4.803 10.684 5.541 1.00 0.00 C ATOM 1138 C GLU A 73 5.501 9.335 5.667 1.00 0.00 C ATOM 1139 O GLU A 73 6.264 9.103 6.607 1.00 0.00 O ATOM 1140 CB GLU A 73 3.414 10.614 6.180 1.00 0.00 C ATOM 1141 CG GLU A 73 3.349 11.255 7.555 1.00 0.00 C ATOM 1142 CD GLU A 73 2.476 12.494 7.583 1.00 0.00 C ATOM 1143 OE1 GLU A 73 2.660 13.369 6.712 1.00 0.00 O ATOM 1144 OE2 GLU A 73 1.609 12.589 8.478 1.00 0.00 O ATOM 0 H GLU A 73 3.747 11.350 3.861 1.00 0.00 H new ATOM 0 HA GLU A 73 5.404 11.429 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.695 11.105 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.111 9.570 6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.965 10.529 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.357 11.518 7.876 1.00 0.00 H new ATOM 1151 N ALA A 74 5.240 8.449 4.716 1.00 0.00 N ATOM 1152 CA ALA A 74 5.847 7.129 4.731 1.00 0.00 C ATOM 1153 C ALA A 74 7.311 7.190 4.303 1.00 0.00 C ATOM 1154 O ALA A 74 8.144 6.436 4.806 1.00 0.00 O ATOM 1155 CB ALA A 74 5.061 6.185 3.839 1.00 0.00 C ATOM 0 H ALA A 74 4.615 8.621 3.929 1.00 0.00 H new ATOM 0 HA ALA A 74 5.820 6.749 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.524 5.198 3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.035 6.112 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.059 6.566 2.818 1.00 0.00 H new ATOM 1161 N SER A 75 7.624 8.101 3.386 1.00 0.00 N ATOM 1162 CA SER A 75 8.994 8.261 2.908 1.00 0.00 C ATOM 1163 C SER A 75 9.940 8.510 4.082 1.00 0.00 C ATOM 1164 O SER A 75 10.925 7.796 4.256 1.00 0.00 O ATOM 1165 CB SER A 75 9.079 9.398 1.890 1.00 0.00 C ATOM 1166 OG SER A 75 9.466 10.616 2.504 1.00 0.00 O ATOM 0 H SER A 75 6.950 8.738 2.960 1.00 0.00 H new ATOM 0 HA SER A 75 9.299 7.340 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.796 9.138 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.112 9.526 1.403 1.00 0.00 H new ATOM 0 HG SER A 75 8.720 10.966 3.035 1.00 0.00 H new ATOM 1172 N ALA A 76 9.635 9.518 4.894 1.00 0.00 N ATOM 1173 CA ALA A 76 10.463 9.832 6.056 1.00 0.00 C ATOM 1174 C ALA A 76 10.730 8.568 6.875 1.00 0.00 C ATOM 1175 O ALA A 76 11.837 8.352 7.366 1.00 0.00 O ATOM 1176 CB ALA A 76 9.795 10.893 6.918 1.00 0.00 C ATOM 0 H ALA A 76 8.827 10.128 4.771 1.00 0.00 H new ATOM 0 HA ALA A 76 11.416 10.226 5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.427 11.113 7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.651 11.800 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.828 10.526 7.262 1.00 0.00 H new ATOM 1182 N ALA A 77 9.703 7.730 6.994 1.00 0.00 N ATOM 1183 CA ALA A 77 9.814 6.471 7.728 1.00 0.00 C ATOM 1184 C ALA A 77 10.534 5.414 6.893 1.00 0.00 C ATOM 1185 O ALA A 77 10.983 4.391 7.409 1.00 0.00 O ATOM 1186 CB ALA A 77 8.438 5.971 8.123 1.00 0.00 C ATOM 0 H ALA A 77 8.782 7.900 6.590 1.00 0.00 H new ATOM 0 HA ALA A 77 10.399 6.654 8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.535 5.033 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.950 6.711 8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.839 5.809 7.227 1.00 0.00 H new ATOM 1192 N TYR A 78 10.646 5.687 5.600 1.00 0.00 N ATOM 1193 CA TYR A 78 11.316 4.796 4.665 1.00 0.00 C ATOM 1194 C TYR A 78 12.794 4.689 5.018 1.00 0.00 C ATOM 1195 O TYR A 78 13.338 3.594 5.152 1.00 0.00 O ATOM 1196 CB TYR A 78 11.157 5.346 3.241 1.00 0.00 C ATOM 1197 CG TYR A 78 11.404 4.349 2.128 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.342 3.333 2.261 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.698 4.436 0.933 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.567 2.434 1.241 1.00 0.00 C ATOM 1201 CE2 TYR A 78 10.916 3.541 -0.096 1.00 0.00 C ATOM 1202 CZ TYR A 78 11.852 2.541 0.062 1.00 0.00 C ATOM 1203 OH TYR A 78 12.075 1.642 -0.956 1.00 0.00 O ATOM 0 H TYR A 78 10.274 6.534 5.170 1.00 0.00 H new ATOM 0 HA TYR A 78 10.868 3.804 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.147 5.742 3.133 1.00 0.00 H new ATOM 0 HB3 TYR A 78 11.843 6.183 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.904 3.246 3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.965 5.219 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.299 1.649 1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.358 3.624 -1.017 1.00 0.00 H new ATOM 0 HH TYR A 78 11.492 1.855 -1.714 1.00 0.00 H new ATOM 1213 N GLU A 79 13.431 5.842 5.164 1.00 0.00 N ATOM 1214 CA GLU A 79 14.852 5.902 5.490 1.00 0.00 C ATOM 1215 C GLU A 79 15.130 5.362 6.886 1.00 0.00 C ATOM 1216 O GLU A 79 16.102 4.636 7.096 1.00 0.00 O ATOM 1217 CB GLU A 79 15.354 7.340 5.378 1.00 0.00 C ATOM 1218 CG GLU A 79 15.890 7.686 3.998 1.00 0.00 C ATOM 1219 CD GLU A 79 15.234 8.919 3.408 1.00 0.00 C ATOM 1220 OE1 GLU A 79 14.138 8.786 2.823 1.00 0.00 O ATOM 1221 OE2 GLU A 79 15.814 10.017 3.533 1.00 0.00 O ATOM 0 H GLU A 79 12.985 6.754 5.062 1.00 0.00 H new ATOM 0 HA GLU A 79 15.384 5.274 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.540 8.022 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.140 7.501 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.966 7.847 4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.732 6.840 3.329 1.00 0.00 H new ATOM 1228 N SER A 80 14.280 5.721 7.837 1.00 0.00 N ATOM 1229 CA SER A 80 14.446 5.271 9.206 1.00 0.00 C ATOM 1230 C SER A 80 14.449 3.750 9.272 1.00 0.00 C ATOM 1231 O SER A 80 15.379 3.147 9.800 1.00 0.00 O ATOM 1232 CB SER A 80 13.334 5.839 10.091 1.00 0.00 C ATOM 1233 OG SER A 80 13.838 6.831 10.970 1.00 0.00 O ATOM 0 H SER A 80 13.470 6.322 7.683 1.00 0.00 H new ATOM 0 HA SER A 80 15.405 5.634 9.574 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.550 6.267 9.466 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.878 5.035 10.668 1.00 0.00 H new ATOM 0 HG SER A 80 13.108 7.179 11.523 1.00 0.00 H new ATOM 1239 N PHE A 81 13.403 3.138 8.723 1.00 0.00 N ATOM 1240 CA PHE A 81 13.282 1.684 8.714 1.00 0.00 C ATOM 1241 C PHE A 81 14.399 1.043 7.894 1.00 0.00 C ATOM 1242 O PHE A 81 14.969 0.027 8.292 1.00 0.00 O ATOM 1243 CB PHE A 81 11.915 1.271 8.161 1.00 0.00 C ATOM 1244 CG PHE A 81 11.007 0.670 9.197 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.324 1.478 10.090 1.00 0.00 C ATOM 1246 CD2 PHE A 81 10.839 -0.704 9.277 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.489 0.929 11.045 1.00 0.00 C ATOM 1248 CE2 PHE A 81 10.005 -1.259 10.230 1.00 0.00 C ATOM 1249 CZ PHE A 81 9.329 -0.442 11.115 1.00 0.00 C ATOM 0 H PHE A 81 12.627 3.628 8.278 1.00 0.00 H new ATOM 0 HA PHE A 81 13.372 1.331 9.741 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.429 2.144 7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.060 0.552 7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.445 2.550 10.040 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.365 -1.348 8.588 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.962 1.571 11.736 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.882 -2.331 10.282 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.677 -0.873 11.860 1.00 0.00 H new ATOM 1259 N LYS A 82 14.708 1.643 6.747 1.00 0.00 N ATOM 1260 CA LYS A 82 15.758 1.127 5.873 1.00 0.00 C ATOM 1261 C LYS A 82 17.122 1.206 6.551 1.00 0.00 C ATOM 1262 O LYS A 82 17.939 0.292 6.436 1.00 0.00 O ATOM 1263 CB LYS A 82 15.792 1.911 4.561 1.00 0.00 C ATOM 1264 CG LYS A 82 15.141 1.181 3.400 1.00 0.00 C ATOM 1265 CD LYS A 82 16.170 0.420 2.577 1.00 0.00 C ATOM 1266 CE LYS A 82 16.144 0.841 1.117 1.00 0.00 C ATOM 1267 NZ LYS A 82 16.803 -0.164 0.240 1.00 0.00 N ATOM 0 H LYS A 82 14.247 2.485 6.402 1.00 0.00 H new ATOM 0 HA LYS A 82 15.533 0.081 5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.289 2.867 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.829 2.131 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.391 0.487 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.621 1.897 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.165 0.593 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.976 -0.650 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.111 0.981 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.645 1.803 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.453 0.318 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.337 -0.838 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.080 -0.675 -0.306 1.00 0.00 H new ATOM 1281 N LYS A 83 17.366 2.312 7.246 1.00 0.00 N ATOM 1282 CA LYS A 83 18.637 2.522 7.929 1.00 0.00 C ATOM 1283 C LYS A 83 18.638 1.911 9.332 1.00 0.00 C ATOM 1284 O LYS A 83 19.693 1.779 9.952 1.00 0.00 O ATOM 1285 CB LYS A 83 18.949 4.018 8.009 1.00 0.00 C ATOM 1286 CG LYS A 83 18.919 4.719 6.659 1.00 0.00 C ATOM 1287 CD LYS A 83 20.294 4.741 6.009 1.00 0.00 C ATOM 1288 CE LYS A 83 20.256 4.157 4.605 1.00 0.00 C ATOM 1289 NZ LYS A 83 19.506 5.029 3.658 1.00 0.00 N ATOM 0 H LYS A 83 16.700 3.077 7.351 1.00 0.00 H new ATOM 0 HA LYS A 83 19.410 2.019 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 83 18.229 4.496 8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.934 4.152 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.213 4.213 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.560 5.740 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 83 20.662 5.766 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.996 4.175 6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.274 4.019 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.792 3.171 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.504 4.594 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.527 5.140 3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.963 5.962 3.609 1.00 0.00 H new ATOM 1303 N GLU A 84 17.460 1.543 9.833 1.00 0.00 N ATOM 1304 CA GLU A 84 17.356 0.951 11.166 1.00 0.00 C ATOM 1305 C GLU A 84 17.762 -0.517 11.148 1.00 0.00 C ATOM 1306 O GLU A 84 18.577 -0.955 11.961 1.00 0.00 O ATOM 1307 CB GLU A 84 15.932 1.079 11.712 1.00 0.00 C ATOM 1308 CG GLU A 84 15.854 1.828 13.033 1.00 0.00 C ATOM 1309 CD GLU A 84 15.024 1.096 14.068 1.00 0.00 C ATOM 1310 OE1 GLU A 84 15.407 -0.032 14.445 1.00 0.00 O ATOM 1311 OE2 GLU A 84 13.992 1.648 14.501 1.00 0.00 O ATOM 0 H GLU A 84 16.572 1.643 9.342 1.00 0.00 H new ATOM 0 HA GLU A 84 18.038 1.498 11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.314 1.592 10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.511 0.082 11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.861 1.979 13.421 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.426 2.816 12.862 1.00 0.00 H new ATOM 1318 N GLN A 85 17.188 -1.274 10.220 1.00 0.00 N ATOM 1319 CA GLN A 85 17.487 -2.698 10.102 1.00 0.00 C ATOM 1320 C GLN A 85 18.808 -2.939 9.377 1.00 0.00 C ATOM 1321 O GLN A 85 18.979 -3.956 8.705 1.00 0.00 O ATOM 1322 CB GLN A 85 16.355 -3.421 9.371 1.00 0.00 C ATOM 1323 CG GLN A 85 16.092 -2.892 7.971 1.00 0.00 C ATOM 1324 CD GLN A 85 14.631 -2.987 7.580 1.00 0.00 C ATOM 1325 OE1 GLN A 85 13.788 -3.404 8.374 1.00 0.00 O ATOM 1326 NE2 GLN A 85 14.322 -2.599 6.348 1.00 0.00 N ATOM 0 H GLN A 85 16.513 -0.927 9.538 1.00 0.00 H new ATOM 0 HA GLN A 85 17.579 -3.097 11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.595 -4.482 9.309 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.442 -3.334 9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.414 -1.852 7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.694 -3.452 7.255 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.052 -2.260 5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.354 -2.640 6.028 1.00 0.00 H new ATOM 1335 N GLU A 86 19.743 -2.007 9.525 1.00 0.00 N ATOM 1336 CA GLU A 86 21.050 -2.129 8.895 1.00 0.00 C ATOM 1337 C GLU A 86 21.907 -3.154 9.634 1.00 0.00 C ATOM 1338 O GLU A 86 22.880 -3.674 9.090 1.00 0.00 O ATOM 1339 CB GLU A 86 21.758 -0.773 8.876 1.00 0.00 C ATOM 1340 CG GLU A 86 21.295 0.142 7.752 1.00 0.00 C ATOM 1341 CD GLU A 86 22.373 0.379 6.713 1.00 0.00 C ATOM 1342 OE1 GLU A 86 23.497 0.766 7.099 1.00 0.00 O ATOM 1343 OE2 GLU A 86 22.094 0.179 5.512 1.00 0.00 O ATOM 0 H GLU A 86 19.619 -1.158 10.077 1.00 0.00 H new ATOM 0 HA GLU A 86 20.907 -2.468 7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 86 21.593 -0.273 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.832 -0.935 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.420 -0.295 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.983 1.098 8.172 1.00 0.00 H new ATOM 1350 N GLN A 87 21.537 -3.437 10.882 1.00 0.00 N ATOM 1351 CA GLN A 87 22.268 -4.397 11.700 1.00 0.00 C ATOM 1352 C GLN A 87 21.903 -5.832 11.326 1.00 0.00 C ATOM 1353 O GLN A 87 22.778 -6.645 11.030 1.00 0.00 O ATOM 1354 CB GLN A 87 21.994 -4.155 13.189 1.00 0.00 C ATOM 1355 CG GLN A 87 20.515 -4.114 13.549 1.00 0.00 C ATOM 1356 CD GLN A 87 20.195 -3.068 14.598 1.00 0.00 C ATOM 1357 OE1 GLN A 87 21.030 -2.745 15.444 1.00 0.00 O ATOM 1358 NE2 GLN A 87 18.980 -2.534 14.549 1.00 0.00 N ATOM 0 H GLN A 87 20.734 -3.013 11.347 1.00 0.00 H new ATOM 0 HA GLN A 87 23.332 -4.254 11.509 1.00 0.00 H new ATOM 0 HB2 GLN A 87 22.477 -4.942 13.769 1.00 0.00 H new ATOM 0 HB3 GLN A 87 22.455 -3.213 13.484 1.00 0.00 H new ATOM 0 HG2 GLN A 87 19.932 -3.911 12.650 1.00 0.00 H new ATOM 0 HG3 GLN A 87 20.207 -5.094 13.914 1.00 0.00 H new ATOM 0 HE21 GLN A 87 18.321 -2.832 13.830 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.706 -1.826 15.230 1.00 0.00 H new ATOM 1367 N GLN A 88 20.608 -6.140 11.338 1.00 0.00 N ATOM 1368 CA GLN A 88 20.140 -7.478 10.996 1.00 0.00 C ATOM 1369 C GLN A 88 19.837 -7.577 9.505 1.00 0.00 C ATOM 1370 O GLN A 88 18.826 -7.060 9.029 1.00 0.00 O ATOM 1371 CB GLN A 88 18.896 -7.836 11.812 1.00 0.00 C ATOM 1372 CG GLN A 88 19.189 -8.746 12.993 1.00 0.00 C ATOM 1373 CD GLN A 88 18.009 -8.876 13.936 1.00 0.00 C ATOM 1374 OE1 GLN A 88 17.044 -9.584 13.648 1.00 0.00 O ATOM 1375 NE2 GLN A 88 18.082 -8.191 15.072 1.00 0.00 N ATOM 0 H GLN A 88 19.867 -5.482 11.580 1.00 0.00 H new ATOM 0 HA GLN A 88 20.932 -8.187 11.237 1.00 0.00 H new ATOM 0 HB2 GLN A 88 18.433 -6.919 12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 88 18.170 -8.322 11.160 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.466 -9.734 12.626 1.00 0.00 H new ATOM 0 HG3 GLN A 88 20.047 -8.358 13.542 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.901 -7.617 15.269 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.319 -8.240 15.747 1.00 0.00 H new ATOM 1384 N THR A 89 20.727 -8.237 8.773 1.00 0.00 N ATOM 1385 CA THR A 89 20.566 -8.398 7.335 1.00 0.00 C ATOM 1386 C THR A 89 19.924 -9.740 6.997 1.00 0.00 C ATOM 1387 O THR A 89 20.617 -10.722 6.732 1.00 0.00 O ATOM 1388 CB THR A 89 21.924 -8.279 6.644 1.00 0.00 C ATOM 1389 OG1 THR A 89 22.790 -9.322 7.062 1.00 0.00 O ATOM 1390 CG2 THR A 89 22.618 -6.962 6.923 1.00 0.00 C ATOM 0 H THR A 89 21.569 -8.670 9.154 1.00 0.00 H new ATOM 0 HA THR A 89 19.906 -7.609 6.976 1.00 0.00 H new ATOM 0 HB THR A 89 21.717 -8.344 5.576 1.00 0.00 H new ATOM 0 HG1 THR A 89 22.341 -10.186 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 89 23.577 -6.939 6.405 1.00 0.00 H new ATOM 0 HG22 THR A 89 21.995 -6.140 6.570 1.00 0.00 H new ATOM 0 HG23 THR A 89 22.783 -6.858 7.995 1.00 0.00 H new ATOM 1398 N GLU A 90 18.594 -9.773 7.002 1.00 0.00 N ATOM 1399 CA GLU A 90 17.859 -10.994 6.688 1.00 0.00 C ATOM 1400 C GLU A 90 17.923 -11.289 5.193 1.00 0.00 C ATOM 1401 O GLU A 90 18.175 -12.421 4.783 1.00 0.00 O ATOM 1402 CB GLU A 90 16.400 -10.869 7.139 1.00 0.00 C ATOM 1403 CG GLU A 90 15.994 -11.904 8.178 1.00 0.00 C ATOM 1404 CD GLU A 90 14.731 -12.651 7.797 1.00 0.00 C ATOM 1405 OE1 GLU A 90 14.819 -13.583 6.970 1.00 0.00 O ATOM 1406 OE2 GLU A 90 13.654 -12.305 8.325 1.00 0.00 O ATOM 0 H GLU A 90 18.004 -8.970 7.220 1.00 0.00 H new ATOM 0 HA GLU A 90 18.323 -11.821 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.239 -9.872 7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 90 15.750 -10.965 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.807 -12.618 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.843 -11.410 9.138 1.00 0.00 H new ATOM 1413 N GLN A 91 17.697 -10.258 4.384 1.00 0.00 N ATOM 1414 CA GLN A 91 17.733 -10.403 2.933 1.00 0.00 C ATOM 1415 C GLN A 91 19.085 -9.962 2.381 1.00 0.00 C ATOM 1416 O GLN A 91 19.646 -8.956 2.816 1.00 0.00 O ATOM 1417 CB GLN A 91 16.614 -9.582 2.288 1.00 0.00 C ATOM 1418 CG GLN A 91 15.226 -10.159 2.513 1.00 0.00 C ATOM 1419 CD GLN A 91 14.375 -10.139 1.257 1.00 0.00 C ATOM 1420 OE1 GLN A 91 14.594 -9.326 0.359 1.00 0.00 O ATOM 1421 NE2 GLN A 91 13.397 -11.035 1.189 1.00 0.00 N ATOM 0 H GLN A 91 17.487 -9.314 4.709 1.00 0.00 H new ATOM 0 HA GLN A 91 17.585 -11.456 2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.645 -8.567 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.799 -9.511 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 91 15.317 -11.185 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 91 14.724 -9.592 3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.251 -11.690 1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.792 -11.068 0.369 1.00 0.00 H new ATOM 1430 N ALA A 92 19.604 -10.722 1.422 1.00 0.00 N ATOM 1431 CA ALA A 92 20.891 -10.409 0.812 1.00 0.00 C ATOM 1432 C ALA A 92 20.790 -9.178 -0.082 1.00 0.00 C ATOM 1433 O ALA A 92 21.830 -8.521 -0.301 1.00 0.00 O ATOM 1434 CB ALA A 92 21.402 -11.602 0.019 1.00 0.00 C ATOM 1435 OXT ALA A 92 19.674 -8.881 -0.556 1.00 0.00 O ATOM 0 H ALA A 92 19.153 -11.558 1.051 1.00 0.00 H new ATOM 0 HA ALA A 92 21.600 -10.187 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 92 22.363 -11.355 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 92 21.522 -12.457 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.687 -11.851 -0.766 1.00 0.00 H new TER 1441 ALA A 92