USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 757 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 22 THR OG1 : rot -147:sc= -0.432 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= 0.0316 USER MOD Set 1.3: A 55 GLN : amide:sc= -0.606 K(o=-1,f=-1.6!) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 20 CYS SG : rot 150:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 29 THR OG1 : rot -37:sc= 0.178 USER MOD Single : A 30 GLN : amide:sc= -0.435 K(o=-0.44,f=-4.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -31:sc= 0.203 USER MOD Single : A 35 SER OG : rot -142:sc= 1.16 USER MOD Single : A 36 ASN : amide:sc= -2.86 K(o=-2.9,f=-6.3!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.595 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.73 X(o=-0.73,f=-0.72) USER MOD Single : A 72 THR OG1 : rot 83:sc= 0.291 USER MOD Single : A 77 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-3.3!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -1.52! USER MOD Single : A 89 SER OG : rot -46:sc= 0.358 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0074 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.371 -1.080 0.661 1.00 2.04 N ATOM 2 CA PRO A 1 1.960 -0.863 -0.664 1.00 31.54 C ATOM 3 C PRO A 1 1.824 -2.086 -1.565 1.00 3.01 C ATOM 4 O PRO A 1 1.130 -3.046 -1.226 1.00 44.24 O ATOM 5 CB PRO A 1 3.434 -0.587 -0.356 1.00 54.41 C ATOM 6 CG PRO A 1 3.682 -1.263 0.948 1.00 61.12 C ATOM 7 CD PRO A 1 2.394 -1.165 1.717 1.00 10.44 C ATOM 0 H2 PRO A 1 0.823 -1.940 0.651 1.00 2.04 H new ATOM 0 H3 PRO A 1 0.727 -0.318 0.874 1.00 2.04 H new ATOM 0 HA PRO A 1 1.465 -0.056 -1.203 1.00 31.54 H new ATOM 0 HB2 PRO A 1 4.083 -0.984 -1.137 1.00 54.41 H new ATOM 0 HB3 PRO A 1 3.631 0.483 -0.291 1.00 54.41 H new ATOM 0 HG2 PRO A 1 3.970 -2.304 0.799 1.00 61.12 H new ATOM 0 HG3 PRO A 1 4.497 -0.781 1.489 1.00 61.12 H new ATOM 0 HD2 PRO A 1 2.240 -2.035 2.356 1.00 10.44 H new ATOM 0 HD3 PRO A 1 2.378 -0.288 2.364 1.00 10.44 H new ATOM 15 N LEU A 2 2.491 -2.045 -2.713 1.00 71.32 N ATOM 16 CA LEU A 2 2.445 -3.151 -3.664 1.00 3.11 C ATOM 17 C LEU A 2 3.527 -2.999 -4.728 1.00 44.22 C ATOM 18 O LEU A 2 3.964 -1.888 -5.032 1.00 13.00 O ATOM 19 CB LEU A 2 1.069 -3.223 -4.327 1.00 14.03 C ATOM 20 CG LEU A 2 0.527 -1.910 -4.894 1.00 22.31 C ATOM 21 CD1 LEU A 2 0.420 -1.987 -6.409 1.00 32.40 C ATOM 22 CD2 LEU A 2 -0.825 -1.580 -4.278 1.00 24.32 C ATOM 0 H LEU A 2 3.070 -1.259 -3.008 1.00 71.32 H new ATOM 0 HA LEU A 2 2.626 -4.076 -3.117 1.00 3.11 H new ATOM 0 HB2 LEU A 2 1.115 -3.953 -5.135 1.00 14.03 H new ATOM 0 HB3 LEU A 2 0.355 -3.602 -3.596 1.00 14.03 H new ATOM 0 HG LEU A 2 1.224 -1.112 -4.639 1.00 22.31 H new ATOM 0 HD11 LEU A 2 0.033 -1.044 -6.795 1.00 32.40 H new ATOM 0 HD12 LEU A 2 1.406 -2.175 -6.834 1.00 32.40 H new ATOM 0 HD13 LEU A 2 -0.255 -2.797 -6.685 1.00 32.40 H new ATOM 0 HD21 LEU A 2 -1.195 -0.643 -4.693 1.00 24.32 H new ATOM 0 HD22 LEU A 2 -1.531 -2.380 -4.501 1.00 24.32 H new ATOM 0 HD23 LEU A 2 -0.718 -1.481 -3.198 1.00 24.32 H new ATOM 34 N THR A 3 3.956 -4.123 -5.294 1.00 52.02 N ATOM 35 CA THR A 3 4.986 -4.115 -6.325 1.00 73.23 C ATOM 36 C THR A 3 4.558 -4.937 -7.536 1.00 12.20 C ATOM 37 O THR A 3 3.741 -5.851 -7.420 1.00 52.55 O ATOM 38 CB THR A 3 6.321 -4.667 -5.790 1.00 75.24 C ATOM 39 OG1 THR A 3 7.366 -4.424 -6.738 1.00 2.32 O ATOM 40 CG2 THR A 3 6.217 -6.160 -5.514 1.00 0.50 C ATOM 0 H THR A 3 3.606 -5.051 -5.055 1.00 52.02 H new ATOM 0 HA THR A 3 5.125 -3.076 -6.625 1.00 73.23 H new ATOM 0 HB THR A 3 6.552 -4.156 -4.856 1.00 75.24 H new ATOM 0 HG1 THR A 3 8.212 -4.776 -6.390 1.00 2.32 H new ATOM 0 HG21 THR A 3 7.171 -6.528 -5.137 1.00 0.50 H new ATOM 0 HG22 THR A 3 5.440 -6.339 -4.771 1.00 0.50 H new ATOM 0 HG23 THR A 3 5.965 -6.684 -6.436 1.00 0.50 H new ATOM 48 N ARG A 4 5.115 -4.606 -8.696 1.00 60.44 N ATOM 49 CA ARG A 4 4.790 -5.314 -9.929 1.00 21.21 C ATOM 50 C ARG A 4 5.446 -6.692 -9.954 1.00 13.23 C ATOM 51 O ARG A 4 6.403 -6.964 -9.229 1.00 44.24 O ATOM 52 CB ARG A 4 5.242 -4.501 -11.143 1.00 55.23 C ATOM 53 CG ARG A 4 4.124 -3.697 -11.788 1.00 11.04 C ATOM 54 CD ARG A 4 4.604 -2.981 -13.040 1.00 53.52 C ATOM 55 NE ARG A 4 5.027 -1.611 -12.759 1.00 73.24 N ATOM 56 CZ ARG A 4 5.373 -0.741 -13.702 1.00 31.14 C ATOM 57 NH1 ARG A 4 5.346 -1.096 -14.979 1.00 32.23 N ATOM 58 NH2 ARG A 4 5.747 0.487 -13.367 1.00 14.31 N ATOM 0 H ARG A 4 5.793 -3.852 -8.808 1.00 60.44 H new ATOM 0 HA ARG A 4 3.709 -5.444 -9.969 1.00 21.21 H new ATOM 0 HB2 ARG A 4 6.038 -3.821 -10.839 1.00 55.23 H new ATOM 0 HB3 ARG A 4 5.667 -5.177 -11.885 1.00 55.23 H new ATOM 0 HG2 ARG A 4 3.297 -4.360 -12.041 1.00 11.04 H new ATOM 0 HG3 ARG A 4 3.741 -2.967 -11.075 1.00 11.04 H new ATOM 0 HD2 ARG A 4 5.435 -3.534 -13.478 1.00 53.52 H new ATOM 0 HD3 ARG A 4 3.804 -2.969 -13.780 1.00 53.52 H new ATOM 0 HE ARG A 4 5.058 -1.306 -11.786 1.00 73.24 H new ATOM 0 HH11 ARG A 4 5.059 -2.039 -15.240 1.00 32.23 H new ATOM 0 HH12 ARG A 4 5.612 -0.426 -15.700 1.00 32.23 H new ATOM 0 HH21 ARG A 4 5.769 0.763 -12.385 1.00 14.31 H new ATOM 0 HH22 ARG A 4 6.013 1.155 -14.091 1.00 14.31 H new ATOM 72 N PRO A 5 4.919 -7.583 -10.806 1.00 54.04 N ATOM 73 CA PRO A 5 5.437 -8.947 -10.946 1.00 73.13 C ATOM 74 C PRO A 5 6.811 -8.981 -11.607 1.00 55.51 C ATOM 75 O PRO A 5 6.931 -9.271 -12.798 1.00 15.44 O ATOM 76 CB PRO A 5 4.398 -9.632 -11.838 1.00 14.51 C ATOM 77 CG PRO A 5 3.774 -8.522 -12.613 1.00 31.53 C ATOM 78 CD PRO A 5 3.776 -7.327 -11.700 1.00 65.32 C ATOM 0 HA PRO A 5 5.575 -9.431 -9.979 1.00 73.13 H new ATOM 0 HB2 PRO A 5 4.864 -10.363 -12.499 1.00 14.51 H new ATOM 0 HB3 PRO A 5 3.656 -10.166 -11.244 1.00 14.51 H new ATOM 0 HG2 PRO A 5 4.336 -8.318 -13.524 1.00 31.53 H new ATOM 0 HG3 PRO A 5 2.759 -8.780 -12.916 1.00 31.53 H new ATOM 0 HD2 PRO A 5 3.900 -6.397 -12.255 1.00 65.32 H new ATOM 0 HD3 PRO A 5 2.842 -7.244 -11.144 1.00 65.32 H new ATOM 86 N TYR A 6 7.844 -8.683 -10.828 1.00 0.53 N ATOM 87 CA TYR A 6 9.210 -8.677 -11.338 1.00 53.43 C ATOM 88 C TYR A 6 10.085 -9.659 -10.565 1.00 53.32 C ATOM 89 O TYR A 6 10.140 -9.624 -9.335 1.00 42.01 O ATOM 90 CB TYR A 6 9.803 -7.270 -11.251 1.00 2.41 C ATOM 91 CG TYR A 6 10.230 -6.708 -12.588 1.00 72.14 C ATOM 92 CD1 TYR A 6 11.442 -7.072 -13.161 1.00 44.44 C ATOM 93 CD2 TYR A 6 9.421 -5.814 -13.279 1.00 1.23 C ATOM 94 CE1 TYR A 6 11.837 -6.561 -14.383 1.00 12.21 C ATOM 95 CE2 TYR A 6 9.807 -5.299 -14.501 1.00 73.13 C ATOM 96 CZ TYR A 6 11.015 -5.675 -15.049 1.00 64.41 C ATOM 97 OH TYR A 6 11.404 -5.164 -16.266 1.00 53.21 O ATOM 0 H TYR A 6 7.762 -8.442 -9.840 1.00 0.53 H new ATOM 0 HA TYR A 6 9.182 -8.988 -12.382 1.00 53.43 H new ATOM 0 HB2 TYR A 6 9.067 -6.602 -10.804 1.00 2.41 H new ATOM 0 HB3 TYR A 6 10.664 -7.289 -10.583 1.00 2.41 H new ATOM 0 HD1 TYR A 6 12.087 -7.766 -12.643 1.00 44.44 H new ATOM 0 HD2 TYR A 6 8.474 -5.517 -12.853 1.00 1.23 H new ATOM 0 HE1 TYR A 6 12.783 -6.853 -14.814 1.00 12.21 H new ATOM 0 HE2 TYR A 6 9.166 -4.605 -15.025 1.00 73.13 H new ATOM 0 HH TYR A 6 10.712 -4.556 -16.602 1.00 53.21 H new ATOM 107 N LEU A 7 10.767 -10.534 -11.295 1.00 44.41 N ATOM 108 CA LEU A 7 11.642 -11.526 -10.680 1.00 34.41 C ATOM 109 C LEU A 7 13.099 -11.276 -11.055 1.00 12.23 C ATOM 110 O LEU A 7 13.450 -11.243 -12.233 1.00 44.12 O ATOM 111 CB LEU A 7 11.228 -12.935 -11.109 1.00 33.10 C ATOM 112 CG LEU A 7 12.155 -14.070 -10.671 1.00 54.41 C ATOM 113 CD1 LEU A 7 11.948 -14.389 -9.199 1.00 21.53 C ATOM 114 CD2 LEU A 7 11.923 -15.307 -11.525 1.00 72.53 C ATOM 0 H LEU A 7 10.731 -10.577 -12.313 1.00 44.41 H new ATOM 0 HA LEU A 7 11.545 -11.438 -9.598 1.00 34.41 H new ATOM 0 HB2 LEU A 7 10.231 -13.135 -10.716 1.00 33.10 H new ATOM 0 HB3 LEU A 7 11.151 -12.954 -12.196 1.00 33.10 H new ATOM 0 HG LEU A 7 13.186 -13.746 -10.810 1.00 54.41 H new ATOM 0 HD11 LEU A 7 12.616 -15.199 -8.905 1.00 21.53 H new ATOM 0 HD12 LEU A 7 12.165 -13.504 -8.601 1.00 21.53 H new ATOM 0 HD13 LEU A 7 10.914 -14.693 -9.034 1.00 21.53 H new ATOM 0 HD21 LEU A 7 12.591 -16.104 -11.199 1.00 72.53 H new ATOM 0 HD22 LEU A 7 10.889 -15.634 -11.418 1.00 72.53 H new ATOM 0 HD23 LEU A 7 12.123 -15.070 -12.570 1.00 72.53 H new ATOM 126 N GLY A 8 13.943 -11.101 -10.043 1.00 25.43 N ATOM 127 CA GLY A 8 15.353 -10.858 -10.287 1.00 22.34 C ATOM 128 C GLY A 8 16.247 -11.827 -9.538 1.00 33.12 C ATOM 129 O GLY A 8 17.417 -11.538 -9.289 1.00 64.25 O ATOM 0 H GLY A 8 13.676 -11.123 -9.059 1.00 25.43 H new ATOM 0 HA2 GLY A 8 15.552 -10.937 -11.356 1.00 22.34 H new ATOM 0 HA3 GLY A 8 15.599 -9.838 -9.991 1.00 22.34 H new ATOM 133 N PHE A 9 15.694 -12.980 -9.175 1.00 51.13 N ATOM 134 CA PHE A 9 16.448 -13.994 -8.448 1.00 0.05 C ATOM 135 C PHE A 9 15.847 -15.379 -8.665 1.00 60.54 C ATOM 136 O PHE A 9 14.719 -15.511 -9.140 1.00 15.43 O ATOM 137 CB PHE A 9 16.474 -13.666 -6.953 1.00 71.12 C ATOM 138 CG PHE A 9 15.155 -13.885 -6.269 1.00 11.53 C ATOM 139 CD1 PHE A 9 15.025 -14.842 -5.276 1.00 73.41 C ATOM 140 CD2 PHE A 9 14.045 -13.132 -6.618 1.00 61.22 C ATOM 141 CE1 PHE A 9 13.812 -15.046 -4.644 1.00 4.31 C ATOM 142 CE2 PHE A 9 12.831 -13.331 -5.989 1.00 55.33 C ATOM 143 CZ PHE A 9 12.714 -14.289 -5.002 1.00 33.41 C ATOM 0 H PHE A 9 14.726 -13.235 -9.373 1.00 51.13 H new ATOM 0 HA PHE A 9 17.468 -13.996 -8.831 1.00 0.05 H new ATOM 0 HB2 PHE A 9 17.233 -14.280 -6.467 1.00 71.12 H new ATOM 0 HB3 PHE A 9 16.774 -12.626 -6.822 1.00 71.12 H new ATOM 0 HD1 PHE A 9 15.881 -15.436 -4.992 1.00 73.41 H new ATOM 0 HD2 PHE A 9 14.130 -12.382 -7.390 1.00 61.22 H new ATOM 0 HE1 PHE A 9 13.724 -15.796 -3.872 1.00 4.31 H new ATOM 0 HE2 PHE A 9 11.974 -12.737 -6.270 1.00 55.33 H new ATOM 0 HZ PHE A 9 11.765 -14.446 -4.511 1.00 33.41 H new ATOM 153 N ARG A 10 16.610 -16.410 -8.316 1.00 74.31 N ATOM 154 CA ARG A 10 16.154 -17.786 -8.475 1.00 21.13 C ATOM 155 C ARG A 10 15.984 -18.462 -7.118 1.00 32.45 C ATOM 156 O ARG A 10 16.651 -18.106 -6.146 1.00 43.04 O ATOM 157 CB ARG A 10 17.144 -18.578 -9.331 1.00 22.24 C ATOM 158 CG ARG A 10 17.267 -18.062 -10.755 1.00 0.01 C ATOM 159 CD ARG A 10 17.780 -19.141 -11.696 1.00 41.40 C ATOM 160 NE ARG A 10 19.100 -18.817 -12.231 1.00 72.54 N ATOM 161 CZ ARG A 10 19.315 -17.861 -13.128 1.00 62.41 C ATOM 162 NH1 ARG A 10 18.303 -17.138 -13.587 1.00 22.10 N ATOM 163 NH2 ARG A 10 20.545 -17.627 -13.567 1.00 42.22 N ATOM 0 H ARG A 10 17.546 -16.319 -7.922 1.00 74.31 H new ATOM 0 HA ARG A 10 15.186 -17.766 -8.976 1.00 21.13 H new ATOM 0 HB2 ARG A 10 18.125 -18.549 -8.857 1.00 22.24 H new ATOM 0 HB3 ARG A 10 16.834 -19.623 -9.358 1.00 22.24 H new ATOM 0 HG2 ARG A 10 16.295 -17.708 -11.100 1.00 0.01 H new ATOM 0 HG3 ARG A 10 17.943 -17.207 -10.776 1.00 0.01 H new ATOM 0 HD2 ARG A 10 17.827 -20.092 -11.166 1.00 41.40 H new ATOM 0 HD3 ARG A 10 17.077 -19.269 -12.519 1.00 41.40 H new ATOM 0 HE ARG A 10 19.900 -19.354 -11.898 1.00 72.54 H new ATOM 0 HH11 ARG A 10 17.356 -17.315 -13.251 1.00 22.10 H new ATOM 0 HH12 ARG A 10 18.471 -16.405 -14.276 1.00 22.10 H new ATOM 0 HH21 ARG A 10 21.326 -18.181 -13.216 1.00 42.22 H new ATOM 0 HH22 ARG A 10 20.710 -16.893 -14.256 1.00 42.22 H new ATOM 177 N VAL A 11 15.085 -19.440 -7.058 1.00 22.12 N ATOM 178 CA VAL A 11 14.827 -20.167 -5.820 1.00 42.24 C ATOM 179 C VAL A 11 14.749 -21.669 -6.071 1.00 43.51 C ATOM 180 O VAL A 11 14.114 -22.117 -7.025 1.00 42.32 O ATOM 181 CB VAL A 11 13.518 -19.699 -5.158 1.00 32.44 C ATOM 182 CG1 VAL A 11 13.627 -18.245 -4.726 1.00 21.02 C ATOM 183 CG2 VAL A 11 12.343 -19.897 -6.103 1.00 54.42 C ATOM 0 H VAL A 11 14.523 -19.747 -7.852 1.00 22.12 H new ATOM 0 HA VAL A 11 15.660 -19.957 -5.149 1.00 42.24 H new ATOM 0 HB VAL A 11 13.345 -20.304 -4.268 1.00 32.44 H new ATOM 0 HG11 VAL A 11 12.692 -17.933 -4.260 1.00 21.02 H new ATOM 0 HG12 VAL A 11 14.442 -18.138 -4.010 1.00 21.02 H new ATOM 0 HG13 VAL A 11 13.825 -17.620 -5.597 1.00 21.02 H new ATOM 0 HG21 VAL A 11 11.426 -19.561 -5.619 1.00 54.42 H new ATOM 0 HG22 VAL A 11 12.506 -19.319 -7.012 1.00 54.42 H new ATOM 0 HG23 VAL A 11 12.254 -20.953 -6.356 1.00 54.42 H new ATOM 193 N ALA A 12 15.399 -22.442 -5.207 1.00 44.44 N ATOM 194 CA ALA A 12 15.402 -23.894 -5.333 1.00 53.35 C ATOM 195 C ALA A 12 14.753 -24.551 -4.120 1.00 72.22 C ATOM 196 O ALA A 12 15.192 -24.357 -2.987 1.00 5.22 O ATOM 197 CB ALA A 12 16.823 -24.405 -5.516 1.00 71.33 C ATOM 0 H ALA A 12 15.930 -22.087 -4.412 1.00 44.44 H new ATOM 0 HA ALA A 12 14.817 -24.159 -6.213 1.00 53.35 H new ATOM 0 HB1 ALA A 12 16.810 -25.491 -5.609 1.00 71.33 H new ATOM 0 HB2 ALA A 12 17.253 -23.969 -6.418 1.00 71.33 H new ATOM 0 HB3 ALA A 12 17.425 -24.122 -4.653 1.00 71.33 H new ATOM 203 N VAL A 13 13.704 -25.330 -4.365 1.00 53.22 N ATOM 204 CA VAL A 13 12.994 -26.016 -3.292 1.00 61.44 C ATOM 205 C VAL A 13 13.731 -27.281 -2.868 1.00 24.54 C ATOM 206 O VAL A 13 14.066 -28.126 -3.697 1.00 42.34 O ATOM 207 CB VAL A 13 11.561 -26.388 -3.716 1.00 33.53 C ATOM 208 CG1 VAL A 13 11.579 -27.222 -4.988 1.00 52.42 C ATOM 209 CG2 VAL A 13 10.850 -27.129 -2.594 1.00 34.55 C ATOM 0 H VAL A 13 13.327 -25.502 -5.297 1.00 53.22 H new ATOM 0 HA VAL A 13 12.948 -25.326 -2.450 1.00 61.44 H new ATOM 0 HB VAL A 13 11.011 -25.469 -3.921 1.00 33.53 H new ATOM 0 HG11 VAL A 13 10.557 -27.475 -5.272 1.00 52.42 H new ATOM 0 HG12 VAL A 13 12.048 -26.652 -5.790 1.00 52.42 H new ATOM 0 HG13 VAL A 13 12.145 -28.137 -4.815 1.00 52.42 H new ATOM 0 HG21 VAL A 13 9.839 -27.384 -2.910 1.00 34.55 H new ATOM 0 HG22 VAL A 13 11.397 -28.041 -2.357 1.00 34.55 H new ATOM 0 HG23 VAL A 13 10.804 -26.493 -1.710 1.00 34.55 H new ATOM 219 N GLY A 14 13.981 -27.406 -1.568 1.00 21.25 N ATOM 220 CA GLY A 14 14.677 -28.572 -1.054 1.00 40.33 C ATOM 221 C GLY A 14 14.335 -28.860 0.394 1.00 73.42 C ATOM 222 O GLY A 14 13.261 -28.491 0.870 1.00 5.25 O ATOM 0 H GLY A 14 13.714 -26.721 -0.861 1.00 21.25 H new ATOM 0 HA2 GLY A 14 14.424 -29.440 -1.663 1.00 40.33 H new ATOM 0 HA3 GLY A 14 15.752 -28.420 -1.147 1.00 40.33 H new ATOM 226 N ARG A 15 15.248 -29.524 1.095 1.00 10.02 N ATOM 227 CA ARG A 15 15.036 -29.865 2.497 1.00 51.42 C ATOM 228 C ARG A 15 16.268 -29.525 3.331 1.00 34.51 C ATOM 229 O ARG A 15 17.399 -29.771 2.914 1.00 64.24 O ATOM 230 CB ARG A 15 14.705 -31.351 2.638 1.00 73.52 C ATOM 231 CG ARG A 15 13.309 -31.713 2.156 1.00 1.04 C ATOM 232 CD ARG A 15 13.253 -31.820 0.641 1.00 51.35 C ATOM 233 NE ARG A 15 12.399 -32.920 0.201 1.00 52.45 N ATOM 234 CZ ARG A 15 11.909 -33.023 -1.030 1.00 43.00 C ATOM 235 NH1 ARG A 15 12.188 -32.098 -1.938 1.00 24.00 N ATOM 236 NH2 ARG A 15 11.139 -34.054 -1.355 1.00 2.34 N ATOM 0 H ARG A 15 16.142 -29.837 0.715 1.00 10.02 H new ATOM 0 HA ARG A 15 14.196 -29.277 2.865 1.00 51.42 H new ATOM 0 HB2 ARG A 15 15.436 -31.932 2.076 1.00 73.52 H new ATOM 0 HB3 ARG A 15 14.805 -31.639 3.684 1.00 73.52 H new ATOM 0 HG2 ARG A 15 13.004 -32.660 2.600 1.00 1.04 H new ATOM 0 HG3 ARG A 15 12.599 -30.959 2.495 1.00 1.04 H new ATOM 0 HD2 ARG A 15 12.881 -30.884 0.225 1.00 51.35 H new ATOM 0 HD3 ARG A 15 14.260 -31.965 0.250 1.00 51.35 H new ATOM 0 HE ARG A 15 12.166 -33.649 0.875 1.00 52.45 H new ATOM 0 HH11 ARG A 15 12.780 -31.305 -1.693 1.00 24.00 H new ATOM 0 HH12 ARG A 15 11.810 -32.180 -2.882 1.00 24.00 H new ATOM 0 HH21 ARG A 15 10.923 -34.768 -0.660 1.00 2.34 H new ATOM 0 HH22 ARG A 15 10.763 -34.132 -2.300 1.00 2.34 H new ATOM 250 N ASP A 16 16.039 -28.960 4.511 1.00 11.30 N ATOM 251 CA ASP A 16 17.129 -28.587 5.405 1.00 65.14 C ATOM 252 C ASP A 16 17.331 -29.644 6.486 1.00 10.22 C ATOM 253 O ASP A 16 16.672 -30.683 6.483 1.00 71.54 O ATOM 254 CB ASP A 16 16.849 -27.228 6.048 1.00 75.22 C ATOM 255 CG ASP A 16 15.422 -27.108 6.548 1.00 24.10 C ATOM 256 OD1 ASP A 16 15.225 -27.095 7.781 1.00 10.23 O ATOM 257 OD2 ASP A 16 14.504 -27.027 5.706 1.00 12.43 O ATOM 0 H ASP A 16 15.108 -28.750 4.871 1.00 11.30 H new ATOM 0 HA ASP A 16 18.042 -28.518 4.814 1.00 65.14 H new ATOM 0 HB2 ASP A 16 17.537 -27.074 6.880 1.00 75.22 H new ATOM 0 HB3 ASP A 16 17.044 -26.439 5.322 1.00 75.22 H new ATOM 262 N SER A 17 18.247 -29.371 7.410 1.00 52.30 N ATOM 263 CA SER A 17 18.539 -30.300 8.495 1.00 11.00 C ATOM 264 C SER A 17 17.290 -30.571 9.329 1.00 63.42 C ATOM 265 O SER A 17 17.160 -31.628 9.946 1.00 62.41 O ATOM 266 CB SER A 17 19.650 -29.743 9.387 1.00 42.12 C ATOM 267 OG SER A 17 20.180 -30.750 10.231 1.00 32.21 O ATOM 0 H SER A 17 18.800 -28.514 7.429 1.00 52.30 H new ATOM 0 HA SER A 17 18.873 -31.240 8.055 1.00 11.00 H new ATOM 0 HB2 SER A 17 20.445 -29.328 8.767 1.00 42.12 H new ATOM 0 HB3 SER A 17 19.259 -28.925 9.993 1.00 42.12 H new ATOM 0 HG SER A 17 20.889 -30.369 10.790 1.00 32.21 H new ATOM 273 N SER A 18 16.374 -29.608 9.342 1.00 61.44 N ATOM 274 CA SER A 18 15.137 -29.740 10.102 1.00 30.40 C ATOM 275 C SER A 18 14.060 -30.432 9.272 1.00 61.42 C ATOM 276 O SER A 18 13.328 -31.286 9.771 1.00 43.00 O ATOM 277 CB SER A 18 14.643 -28.365 10.555 1.00 73.30 C ATOM 278 OG SER A 18 13.645 -28.486 11.554 1.00 53.41 O ATOM 0 H SER A 18 16.465 -28.728 8.835 1.00 61.44 H new ATOM 0 HA SER A 18 15.343 -30.352 10.980 1.00 30.40 H new ATOM 0 HB2 SER A 18 15.480 -27.783 10.941 1.00 73.30 H new ATOM 0 HB3 SER A 18 14.243 -27.819 9.701 1.00 73.30 H new ATOM 0 HG SER A 18 13.346 -27.594 11.828 1.00 53.41 H new ATOM 284 N GLY A 19 13.970 -30.057 7.999 1.00 11.34 N ATOM 285 CA GLY A 19 12.980 -30.650 7.119 1.00 4.02 C ATOM 286 C GLY A 19 11.662 -29.903 7.142 1.00 12.30 C ATOM 287 O GLY A 19 10.609 -30.495 7.381 1.00 72.45 O ATOM 0 H GLY A 19 14.565 -29.353 7.562 1.00 11.34 H new ATOM 0 HA2 GLY A 19 13.367 -30.666 6.100 1.00 4.02 H new ATOM 0 HA3 GLY A 19 12.812 -31.686 7.412 1.00 4.02 H new ATOM 291 N CYS A 20 11.718 -28.599 6.895 1.00 4.33 N ATOM 292 CA CYS A 20 10.519 -27.769 6.891 1.00 1.40 C ATOM 293 C CYS A 20 10.232 -27.235 5.491 1.00 21.03 C ATOM 294 O CYS A 20 9.376 -26.369 5.308 1.00 74.31 O ATOM 295 CB CYS A 20 10.675 -26.605 7.871 1.00 24.24 C ATOM 296 SG CYS A 20 10.729 -27.105 9.608 1.00 22.51 S ATOM 0 H CYS A 20 12.581 -28.094 6.695 1.00 4.33 H new ATOM 0 HA CYS A 20 9.678 -28.388 7.204 1.00 1.40 H new ATOM 0 HB2 CYS A 20 11.590 -26.062 7.632 1.00 24.24 H new ATOM 0 HB3 CYS A 20 9.846 -25.911 7.729 1.00 24.24 H new ATOM 0 HG CYS A 20 11.457 -26.263 10.279 1.00 22.51 H new ATOM 302 N THR A 21 10.956 -27.756 4.505 1.00 35.11 N ATOM 303 CA THR A 21 10.781 -27.331 3.122 1.00 2.31 C ATOM 304 C THR A 21 11.049 -25.838 2.968 1.00 12.12 C ATOM 305 O THR A 21 10.187 -25.008 3.261 1.00 62.10 O ATOM 306 CB THR A 21 9.361 -27.641 2.614 1.00 73.14 C ATOM 307 OG1 THR A 21 8.974 -28.960 3.016 1.00 53.32 O ATOM 308 CG2 THR A 21 9.291 -27.527 1.098 1.00 4.33 C ATOM 0 H THR A 21 11.669 -28.473 4.639 1.00 35.11 H new ATOM 0 HA THR A 21 11.502 -27.891 2.526 1.00 2.31 H new ATOM 0 HB THR A 21 8.677 -26.913 3.049 1.00 73.14 H new ATOM 0 HG1 THR A 21 8.069 -29.149 2.691 1.00 53.32 H new ATOM 0 HG21 THR A 21 8.278 -27.750 0.763 1.00 4.33 H new ATOM 0 HG22 THR A 21 9.558 -26.514 0.797 1.00 4.33 H new ATOM 0 HG23 THR A 21 9.987 -28.235 0.647 1.00 4.33 H new ATOM 316 N THR A 22 12.249 -25.501 2.506 1.00 0.11 N ATOM 317 CA THR A 22 12.630 -24.108 2.314 1.00 43.54 C ATOM 318 C THR A 22 13.224 -23.887 0.927 1.00 4.52 C ATOM 319 O THR A 22 13.440 -24.837 0.174 1.00 23.23 O ATOM 320 CB THR A 22 13.650 -23.652 3.375 1.00 74.30 C ATOM 321 OG1 THR A 22 14.972 -24.034 2.980 1.00 71.21 O ATOM 322 CG2 THR A 22 13.325 -24.259 4.732 1.00 43.41 C ATOM 0 H THR A 22 12.974 -26.174 2.258 1.00 0.11 H new ATOM 0 HA THR A 22 11.721 -23.515 2.417 1.00 43.54 H new ATOM 0 HB THR A 22 13.596 -22.566 3.457 1.00 74.30 H new ATOM 0 HG1 THR A 22 15.505 -24.239 3.776 1.00 71.21 H new ATOM 0 HG21 THR A 22 14.058 -23.923 5.466 1.00 43.41 H new ATOM 0 HG22 THR A 22 12.329 -23.943 5.043 1.00 43.41 H new ATOM 0 HG23 THR A 22 13.355 -25.346 4.661 1.00 43.41 H new ATOM 330 N LEU A 23 13.488 -22.627 0.595 1.00 34.44 N ATOM 331 CA LEU A 23 14.058 -22.281 -0.702 1.00 24.43 C ATOM 332 C LEU A 23 15.274 -21.375 -0.537 1.00 63.33 C ATOM 333 O LEU A 23 15.178 -20.287 0.029 1.00 53.41 O ATOM 334 CB LEU A 23 13.009 -21.592 -1.575 1.00 72.03 C ATOM 335 CG LEU A 23 11.890 -22.486 -2.112 1.00 2.20 C ATOM 336 CD1 LEU A 23 10.659 -22.391 -1.225 1.00 12.24 C ATOM 337 CD2 LEU A 23 11.547 -22.108 -3.546 1.00 22.04 C ATOM 0 H LEU A 23 13.316 -21.829 1.206 1.00 34.44 H new ATOM 0 HA LEU A 23 14.377 -23.202 -1.189 1.00 24.43 H new ATOM 0 HB2 LEU A 23 12.557 -20.786 -0.997 1.00 72.03 H new ATOM 0 HB3 LEU A 23 13.517 -21.131 -2.422 1.00 72.03 H new ATOM 0 HG LEU A 23 12.240 -23.518 -2.103 1.00 2.20 H new ATOM 0 HD11 LEU A 23 9.874 -23.034 -1.623 1.00 12.24 H new ATOM 0 HD12 LEU A 23 10.913 -22.711 -0.215 1.00 12.24 H new ATOM 0 HD13 LEU A 23 10.307 -21.360 -1.201 1.00 12.24 H new ATOM 0 HD21 LEU A 23 10.749 -22.754 -3.912 1.00 22.04 H new ATOM 0 HD22 LEU A 23 11.217 -21.070 -3.580 1.00 22.04 H new ATOM 0 HD23 LEU A 23 12.429 -22.229 -4.175 1.00 22.04 H new ATOM 349 N SER A 24 16.418 -21.832 -1.038 1.00 51.51 N ATOM 350 CA SER A 24 17.654 -21.063 -0.945 1.00 54.14 C ATOM 351 C SER A 24 17.764 -20.071 -2.100 1.00 24.25 C ATOM 352 O SER A 24 17.343 -20.358 -3.221 1.00 2.44 O ATOM 353 CB SER A 24 18.863 -22.000 -0.945 1.00 41.22 C ATOM 354 OG SER A 24 18.470 -23.340 -0.707 1.00 72.21 O ATOM 0 H SER A 24 16.514 -22.730 -1.512 1.00 51.51 H new ATOM 0 HA SER A 24 17.637 -20.504 -0.009 1.00 54.14 H new ATOM 0 HB2 SER A 24 19.378 -21.934 -1.903 1.00 41.22 H new ATOM 0 HB3 SER A 24 19.572 -21.684 -0.179 1.00 41.22 H new ATOM 0 HG SER A 24 19.261 -23.919 -0.714 1.00 72.21 H new ATOM 360 N ILE A 25 18.334 -18.905 -1.816 1.00 52.42 N ATOM 361 CA ILE A 25 18.501 -17.871 -2.830 1.00 3.32 C ATOM 362 C ILE A 25 19.862 -17.982 -3.509 1.00 72.24 C ATOM 363 O ILE A 25 20.888 -18.123 -2.845 1.00 1.31 O ATOM 364 CB ILE A 25 18.356 -16.461 -2.226 1.00 34.41 C ATOM 365 CG1 ILE A 25 17.120 -16.394 -1.326 1.00 2.32 C ATOM 366 CG2 ILE A 25 18.271 -15.418 -3.330 1.00 61.20 C ATOM 367 CD1 ILE A 25 15.838 -16.778 -2.030 1.00 52.00 C ATOM 0 H ILE A 25 18.688 -18.653 -0.893 1.00 52.42 H new ATOM 0 HA ILE A 25 17.714 -18.024 -3.569 1.00 3.32 H new ATOM 0 HB ILE A 25 19.237 -16.248 -1.620 1.00 34.41 H new ATOM 0 HG12 ILE A 25 17.267 -17.054 -0.471 1.00 2.32 H new ATOM 0 HG13 ILE A 25 17.021 -15.382 -0.934 1.00 2.32 H new ATOM 0 HG21 ILE A 25 18.169 -14.427 -2.887 1.00 61.20 H new ATOM 0 HG22 ILE A 25 19.177 -15.454 -3.935 1.00 61.20 H new ATOM 0 HG23 ILE A 25 17.406 -15.625 -3.960 1.00 61.20 H new ATOM 0 HD11 ILE A 25 15.004 -16.708 -1.332 1.00 52.00 H new ATOM 0 HD12 ILE A 25 15.667 -16.103 -2.868 1.00 52.00 H new ATOM 0 HD13 ILE A 25 15.917 -17.801 -2.398 1.00 52.00 H new ATOM 379 N GLN A 26 19.861 -17.917 -4.837 1.00 2.11 N ATOM 380 CA GLN A 26 21.096 -18.009 -5.606 1.00 64.53 C ATOM 381 C GLN A 26 21.492 -16.647 -6.166 1.00 63.33 C ATOM 382 O GLN A 26 22.659 -16.409 -6.476 1.00 1.12 O ATOM 383 CB GLN A 26 20.937 -19.016 -6.747 1.00 23.32 C ATOM 384 CG GLN A 26 21.035 -20.465 -6.297 1.00 70.23 C ATOM 385 CD GLN A 26 20.094 -21.377 -7.060 1.00 25.51 C ATOM 386 OE1 GLN A 26 20.531 -22.273 -7.784 1.00 32.14 O ATOM 387 NE2 GLN A 26 18.795 -21.155 -6.901 1.00 40.43 N ATOM 0 H GLN A 26 19.020 -17.801 -5.402 1.00 2.11 H new ATOM 0 HA GLN A 26 21.886 -18.350 -4.937 1.00 64.53 H new ATOM 0 HB2 GLN A 26 19.972 -18.858 -7.228 1.00 23.32 H new ATOM 0 HB3 GLN A 26 21.703 -18.825 -7.499 1.00 23.32 H new ATOM 0 HG2 GLN A 26 22.059 -20.814 -6.428 1.00 70.23 H new ATOM 0 HG3 GLN A 26 20.811 -20.527 -5.232 1.00 70.23 H new ATOM 0 HE21 GLN A 26 18.477 -20.402 -6.291 1.00 40.43 H new ATOM 0 HE22 GLN A 26 18.115 -21.738 -7.388 1.00 40.43 H new ATOM 396 N GLU A 27 20.513 -15.758 -6.294 1.00 14.33 N ATOM 397 CA GLU A 27 20.760 -14.420 -6.818 1.00 0.31 C ATOM 398 C GLU A 27 20.422 -13.356 -5.777 1.00 20.41 C ATOM 399 O GLU A 27 20.183 -13.668 -4.610 1.00 52.21 O ATOM 400 CB GLU A 27 19.939 -14.185 -8.088 1.00 32.35 C ATOM 401 CG GLU A 27 20.768 -13.713 -9.270 1.00 52.01 C ATOM 402 CD GLU A 27 21.592 -14.826 -9.887 1.00 31.52 C ATOM 403 OE1 GLU A 27 21.176 -15.999 -9.782 1.00 75.45 O ATOM 404 OE2 GLU A 27 22.652 -14.526 -10.473 1.00 44.41 O ATOM 0 H GLU A 27 19.541 -15.940 -6.042 1.00 14.33 H new ATOM 0 HA GLU A 27 21.820 -14.343 -7.060 1.00 0.31 H new ATOM 0 HB2 GLU A 27 19.430 -15.110 -8.358 1.00 32.35 H new ATOM 0 HB3 GLU A 27 19.166 -13.446 -7.879 1.00 32.35 H new ATOM 0 HG2 GLU A 27 20.107 -13.293 -10.028 1.00 52.01 H new ATOM 0 HG3 GLU A 27 21.432 -12.911 -8.946 1.00 52.01 H new ATOM 411 N VAL A 28 20.405 -12.099 -6.208 1.00 31.02 N ATOM 412 CA VAL A 28 20.096 -10.989 -5.315 1.00 1.15 C ATOM 413 C VAL A 28 18.872 -10.219 -5.797 1.00 74.42 C ATOM 414 O VAL A 28 18.842 -9.719 -6.922 1.00 1.41 O ATOM 415 CB VAL A 28 21.285 -10.017 -5.195 1.00 21.21 C ATOM 416 CG1 VAL A 28 21.030 -8.993 -4.099 1.00 62.51 C ATOM 417 CG2 VAL A 28 22.573 -10.782 -4.932 1.00 64.20 C ATOM 0 H VAL A 28 20.602 -11.824 -7.170 1.00 31.02 H new ATOM 0 HA VAL A 28 19.888 -11.420 -4.336 1.00 1.15 H new ATOM 0 HB VAL A 28 21.392 -9.483 -6.139 1.00 21.21 H new ATOM 0 HG11 VAL A 28 21.881 -8.315 -4.029 1.00 62.51 H new ATOM 0 HG12 VAL A 28 20.131 -8.424 -4.335 1.00 62.51 H new ATOM 0 HG13 VAL A 28 20.895 -9.505 -3.146 1.00 62.51 H new ATOM 0 HG21 VAL A 28 23.403 -10.080 -4.850 1.00 64.20 H new ATOM 0 HG22 VAL A 28 22.479 -11.343 -4.002 1.00 64.20 H new ATOM 0 HG23 VAL A 28 22.761 -11.472 -5.755 1.00 64.20 H new ATOM 427 N THR A 29 17.861 -10.128 -4.939 1.00 35.12 N ATOM 428 CA THR A 29 16.632 -9.420 -5.277 1.00 63.11 C ATOM 429 C THR A 29 16.400 -8.243 -4.337 1.00 53.32 C ATOM 430 O THR A 29 15.571 -7.375 -4.610 1.00 11.35 O ATOM 431 CB THR A 29 15.411 -10.356 -5.221 1.00 35.52 C ATOM 432 OG1 THR A 29 14.262 -9.696 -5.765 1.00 20.44 O ATOM 433 CG2 THR A 29 15.124 -10.787 -3.790 1.00 62.01 C ATOM 0 H THR A 29 17.869 -10.536 -4.004 1.00 35.12 H new ATOM 0 HA THR A 29 16.750 -9.050 -6.296 1.00 63.11 H new ATOM 0 HB THR A 29 15.634 -11.243 -5.813 1.00 35.52 H new ATOM 0 HG1 THR A 29 14.279 -8.749 -5.513 1.00 20.44 H new ATOM 0 HG21 THR A 29 14.257 -11.448 -3.776 1.00 62.01 H new ATOM 0 HG22 THR A 29 15.989 -11.315 -3.389 1.00 62.01 H new ATOM 0 HG23 THR A 29 14.920 -9.908 -3.179 1.00 62.01 H new ATOM 441 N GLN A 30 17.137 -8.220 -3.231 1.00 53.44 N ATOM 442 CA GLN A 30 17.009 -7.147 -2.251 1.00 65.45 C ATOM 443 C GLN A 30 17.658 -5.865 -2.761 1.00 40.50 C ATOM 444 O GLN A 30 17.492 -4.795 -2.173 1.00 34.42 O ATOM 445 CB GLN A 30 17.646 -7.563 -0.924 1.00 45.32 C ATOM 446 CG GLN A 30 17.090 -8.861 -0.362 1.00 63.14 C ATOM 447 CD GLN A 30 17.897 -10.073 -0.785 1.00 41.12 C ATOM 448 OE1 GLN A 30 18.798 -9.973 -1.619 1.00 74.41 O ATOM 449 NE2 GLN A 30 17.578 -11.227 -0.211 1.00 11.34 N ATOM 0 H GLN A 30 17.828 -8.931 -2.991 1.00 53.44 H new ATOM 0 HA GLN A 30 15.947 -6.957 -2.093 1.00 65.45 H new ATOM 0 HB2 GLN A 30 18.722 -7.669 -1.065 1.00 45.32 H new ATOM 0 HB3 GLN A 30 17.497 -6.767 -0.194 1.00 45.32 H new ATOM 0 HG2 GLN A 30 17.072 -8.803 0.726 1.00 63.14 H new ATOM 0 HG3 GLN A 30 16.058 -8.983 -0.692 1.00 63.14 H new ATOM 0 HE21 GLN A 30 16.824 -11.264 0.475 1.00 11.34 H new ATOM 0 HE22 GLN A 30 18.087 -12.076 -0.456 1.00 11.34 H new ATOM 458 N THR A 31 18.399 -5.977 -3.859 1.00 21.40 N ATOM 459 CA THR A 31 19.074 -4.827 -4.447 1.00 62.40 C ATOM 460 C THR A 31 18.255 -4.233 -5.587 1.00 2.21 C ATOM 461 O THR A 31 18.770 -3.464 -6.399 1.00 3.21 O ATOM 462 CB THR A 31 20.470 -5.206 -4.976 1.00 45.32 C ATOM 463 OG1 THR A 31 20.443 -6.526 -5.530 1.00 43.34 O ATOM 464 CG2 THR A 31 21.507 -5.138 -3.865 1.00 30.23 C ATOM 0 H THR A 31 18.547 -6.854 -4.359 1.00 21.40 H new ATOM 0 HA THR A 31 19.182 -4.085 -3.656 1.00 62.40 H new ATOM 0 HB THR A 31 20.745 -4.492 -5.753 1.00 45.32 H new ATOM 0 HG1 THR A 31 21.334 -6.758 -5.865 1.00 43.34 H new ATOM 0 HG21 THR A 31 22.485 -5.410 -4.263 1.00 30.23 H new ATOM 0 HG22 THR A 31 21.547 -4.125 -3.466 1.00 30.23 H new ATOM 0 HG23 THR A 31 21.234 -5.831 -3.069 1.00 30.23 H new ATOM 472 N TYR A 32 16.978 -4.593 -5.642 1.00 12.34 N ATOM 473 CA TYR A 32 16.088 -4.095 -6.684 1.00 34.51 C ATOM 474 C TYR A 32 14.887 -3.376 -6.077 1.00 73.12 C ATOM 475 O TYR A 32 14.439 -3.706 -4.978 1.00 62.23 O ATOM 476 CB TYR A 32 15.612 -5.248 -7.570 1.00 14.02 C ATOM 477 CG TYR A 32 16.632 -5.683 -8.597 1.00 61.40 C ATOM 478 CD1 TYR A 32 16.406 -5.491 -9.954 1.00 51.15 C ATOM 479 CD2 TYR A 32 17.822 -6.288 -8.211 1.00 32.14 C ATOM 480 CE1 TYR A 32 17.335 -5.888 -10.897 1.00 10.32 C ATOM 481 CE2 TYR A 32 18.757 -6.687 -9.146 1.00 1.33 C ATOM 482 CZ TYR A 32 18.509 -6.485 -10.487 1.00 41.44 C ATOM 483 OH TYR A 32 19.438 -6.882 -11.422 1.00 53.41 O ATOM 0 H TYR A 32 16.536 -5.228 -4.977 1.00 12.34 H new ATOM 0 HA TYR A 32 16.645 -3.383 -7.293 1.00 34.51 H new ATOM 0 HB2 TYR A 32 15.359 -6.100 -6.939 1.00 14.02 H new ATOM 0 HB3 TYR A 32 14.698 -4.948 -8.082 1.00 14.02 H new ATOM 0 HD1 TYR A 32 15.488 -5.023 -10.278 1.00 51.15 H new ATOM 0 HD2 TYR A 32 18.019 -6.449 -7.161 1.00 32.14 H new ATOM 0 HE1 TYR A 32 17.143 -5.732 -11.948 1.00 10.32 H new ATOM 0 HE2 TYR A 32 19.677 -7.155 -8.828 1.00 1.33 H new ATOM 0 HH TYR A 32 20.208 -7.283 -10.968 1.00 53.41 H new ATOM 493 N THR A 33 14.368 -2.390 -6.802 1.00 52.30 N ATOM 494 CA THR A 33 13.219 -1.622 -6.337 1.00 64.12 C ATOM 495 C THR A 33 12.530 -0.909 -7.495 1.00 34.34 C ATOM 496 O THR A 33 13.150 -0.621 -8.517 1.00 41.20 O ATOM 497 CB THR A 33 13.631 -0.581 -5.280 1.00 12.54 C ATOM 498 OG1 THR A 33 14.497 -1.182 -4.311 1.00 44.31 O ATOM 499 CG2 THR A 33 12.407 -0.003 -4.584 1.00 23.51 C ATOM 0 H THR A 33 14.725 -2.104 -7.714 1.00 52.30 H new ATOM 0 HA THR A 33 12.525 -2.332 -5.886 1.00 64.12 H new ATOM 0 HB THR A 33 14.158 0.228 -5.786 1.00 12.54 H new ATOM 0 HG1 THR A 33 14.267 -2.129 -4.209 1.00 44.31 H new ATOM 0 HG21 THR A 33 12.723 0.730 -3.842 1.00 23.51 H new ATOM 0 HG22 THR A 33 11.764 0.480 -5.320 1.00 23.51 H new ATOM 0 HG23 THR A 33 11.856 -0.804 -4.091 1.00 23.51 H new ATOM 507 N GLY A 34 11.241 -0.627 -7.326 1.00 42.24 N ATOM 508 CA GLY A 34 10.489 0.051 -8.366 1.00 14.03 C ATOM 509 C GLY A 34 9.183 0.627 -7.854 1.00 42.12 C ATOM 510 O GLY A 34 8.760 1.700 -8.284 1.00 54.00 O ATOM 0 H GLY A 34 10.705 -0.856 -6.489 1.00 42.24 H new ATOM 0 HA2 GLY A 34 11.097 0.853 -8.786 1.00 14.03 H new ATOM 0 HA3 GLY A 34 10.282 -0.649 -9.175 1.00 14.03 H new ATOM 514 N SER A 35 8.543 -0.088 -6.935 1.00 14.33 N ATOM 515 CA SER A 35 7.274 0.356 -6.368 1.00 45.20 C ATOM 516 C SER A 35 7.465 0.863 -4.942 1.00 13.43 C ATOM 517 O SER A 35 8.334 0.388 -4.213 1.00 63.32 O ATOM 518 CB SER A 35 6.257 -0.786 -6.384 1.00 31.12 C ATOM 519 OG SER A 35 5.010 -0.351 -6.898 1.00 20.30 O ATOM 0 H SER A 35 8.882 -0.977 -6.567 1.00 14.33 H new ATOM 0 HA SER A 35 6.898 1.176 -6.979 1.00 45.20 H new ATOM 0 HB2 SER A 35 6.637 -1.608 -6.991 1.00 31.12 H new ATOM 0 HB3 SER A 35 6.123 -1.172 -5.373 1.00 31.12 H new ATOM 0 HG SER A 35 4.283 -0.780 -6.400 1.00 20.30 H new ATOM 525 N ASN A 36 6.644 1.833 -4.551 1.00 31.23 N ATOM 526 CA ASN A 36 6.721 2.406 -3.212 1.00 1.11 C ATOM 527 C ASN A 36 8.120 2.948 -2.932 1.00 55.22 C ATOM 528 O ASN A 36 8.567 2.978 -1.787 1.00 5.12 O ATOM 529 CB ASN A 36 6.350 1.356 -2.163 1.00 14.22 C ATOM 530 CG ASN A 36 5.475 1.924 -1.061 1.00 63.23 C ATOM 531 OD1 ASN A 36 5.778 1.780 0.123 1.00 23.13 O ATOM 532 ND2 ASN A 36 4.383 2.573 -1.448 1.00 44.01 N ATOM 0 H ASN A 36 5.918 2.238 -5.142 1.00 31.23 H new ATOM 0 HA ASN A 36 6.012 3.232 -3.156 1.00 1.11 H new ATOM 0 HB2 ASN A 36 5.829 0.530 -2.648 1.00 14.22 H new ATOM 0 HB3 ASN A 36 7.260 0.946 -1.726 1.00 14.22 H new ATOM 0 HD21 ASN A 36 3.756 2.976 -0.752 1.00 44.01 H new ATOM 0 HD22 ASN A 36 4.171 2.668 -2.441 1.00 44.01 H new ATOM 539 N GLY A 37 8.805 3.377 -3.988 1.00 74.32 N ATOM 540 CA GLY A 37 10.145 3.912 -3.835 1.00 54.55 C ATOM 541 C GLY A 37 10.804 4.212 -5.167 1.00 25.12 C ATOM 542 O GLY A 37 11.045 5.371 -5.502 1.00 14.11 O ATOM 0 H GLY A 37 8.456 3.363 -4.946 1.00 74.32 H new ATOM 0 HA2 GLY A 37 10.103 4.824 -3.240 1.00 54.55 H new ATOM 0 HA3 GLY A 37 10.757 3.199 -3.283 1.00 54.55 H new ATOM 546 N GLY A 38 11.100 3.163 -5.928 1.00 64.14 N ATOM 547 CA GLY A 38 11.736 3.340 -7.221 1.00 54.21 C ATOM 548 C GLY A 38 13.215 3.651 -7.103 1.00 35.14 C ATOM 549 O GLY A 38 13.618 4.812 -7.160 1.00 42.01 O ATOM 0 H GLY A 38 10.911 2.194 -5.673 1.00 64.14 H new ATOM 0 HA2 GLY A 38 11.605 2.435 -7.814 1.00 54.21 H new ATOM 0 HA3 GLY A 38 11.240 4.148 -7.759 1.00 54.21 H new ATOM 553 N ALA A 39 14.025 2.611 -6.935 1.00 34.30 N ATOM 554 CA ALA A 39 15.467 2.778 -6.808 1.00 51.43 C ATOM 555 C ALA A 39 16.162 1.433 -6.629 1.00 3.23 C ATOM 556 O ALA A 39 16.338 0.959 -5.506 1.00 10.40 O ATOM 557 CB ALA A 39 15.791 3.702 -5.643 1.00 74.30 C ATOM 0 H ALA A 39 13.707 1.643 -6.884 1.00 34.30 H new ATOM 0 HA ALA A 39 15.838 3.229 -7.728 1.00 51.43 H new ATOM 0 HB1 ALA A 39 16.872 3.818 -5.560 1.00 74.30 H new ATOM 0 HB2 ALA A 39 15.334 4.677 -5.814 1.00 74.30 H new ATOM 0 HB3 ALA A 39 15.400 3.274 -4.720 1.00 74.30 H new ATOM 563 N ASP A 40 16.555 0.822 -7.741 1.00 40.41 N ATOM 564 CA ASP A 40 17.232 -0.469 -7.706 1.00 52.13 C ATOM 565 C ASP A 40 18.737 -0.289 -7.539 1.00 44.13 C ATOM 566 O ASP A 40 19.418 0.208 -8.438 1.00 74.21 O ATOM 567 CB ASP A 40 16.938 -1.257 -8.984 1.00 24.02 C ATOM 568 CG ASP A 40 17.417 -0.539 -10.230 1.00 52.41 C ATOM 569 OD1 ASP A 40 16.682 0.340 -10.728 1.00 74.21 O ATOM 570 OD2 ASP A 40 18.527 -0.854 -10.707 1.00 12.01 O ATOM 0 H ASP A 40 16.416 1.200 -8.678 1.00 40.41 H new ATOM 0 HA ASP A 40 16.854 -1.027 -6.849 1.00 52.13 H new ATOM 0 HB2 ASP A 40 17.418 -2.234 -8.924 1.00 24.02 H new ATOM 0 HB3 ASP A 40 15.865 -1.434 -9.060 1.00 24.02 H new ATOM 575 N LEU A 41 19.252 -0.695 -6.384 1.00 11.33 N ATOM 576 CA LEU A 41 20.678 -0.578 -6.098 1.00 14.43 C ATOM 577 C LEU A 41 21.045 -1.352 -4.836 1.00 64.23 C ATOM 578 O LEU A 41 20.279 -2.192 -4.366 1.00 73.24 O ATOM 579 CB LEU A 41 21.067 0.893 -5.939 1.00 12.25 C ATOM 580 CG LEU A 41 22.394 1.309 -6.574 1.00 73.05 C ATOM 581 CD1 LEU A 41 22.152 2.019 -7.898 1.00 23.33 C ATOM 582 CD2 LEU A 41 23.184 2.199 -5.626 1.00 71.02 C ATOM 0 H LEU A 41 18.704 -1.108 -5.630 1.00 11.33 H new ATOM 0 HA LEU A 41 21.228 -1.004 -6.937 1.00 14.43 H new ATOM 0 HB2 LEU A 41 20.274 1.506 -6.368 1.00 12.25 H new ATOM 0 HB3 LEU A 41 21.108 1.124 -4.875 1.00 12.25 H new ATOM 0 HG LEU A 41 22.979 0.410 -6.768 1.00 73.05 H new ATOM 0 HD11 LEU A 41 23.107 2.308 -8.336 1.00 23.33 H new ATOM 0 HD12 LEU A 41 21.628 1.349 -8.580 1.00 23.33 H new ATOM 0 HD13 LEU A 41 21.547 2.909 -7.728 1.00 23.33 H new ATOM 0 HD21 LEU A 41 24.125 2.485 -6.095 1.00 71.02 H new ATOM 0 HD22 LEU A 41 22.605 3.094 -5.400 1.00 71.02 H new ATOM 0 HD23 LEU A 41 23.389 1.656 -4.703 1.00 71.02 H new ATOM 594 N MET A 42 22.223 -1.062 -4.292 1.00 14.10 N ATOM 595 CA MET A 42 22.690 -1.729 -3.082 1.00 62.15 C ATOM 596 C MET A 42 22.755 -0.752 -1.913 1.00 40.10 C ATOM 597 O MET A 42 23.576 0.165 -1.902 1.00 73.52 O ATOM 598 CB MET A 42 24.067 -2.353 -3.318 1.00 42.42 C ATOM 599 CG MET A 42 24.203 -3.033 -4.671 1.00 11.31 C ATOM 600 SD MET A 42 24.962 -4.664 -4.555 1.00 61.01 S ATOM 601 CE MET A 42 26.692 -4.248 -4.763 1.00 12.04 C ATOM 0 H MET A 42 22.871 -0.370 -4.670 1.00 14.10 H new ATOM 0 HA MET A 42 21.979 -2.517 -2.834 1.00 62.15 H new ATOM 0 HB2 MET A 42 24.828 -1.577 -3.233 1.00 42.42 H new ATOM 0 HB3 MET A 42 24.266 -3.082 -2.533 1.00 42.42 H new ATOM 0 HG2 MET A 42 23.217 -3.127 -5.127 1.00 11.31 H new ATOM 0 HG3 MET A 42 24.801 -2.404 -5.331 1.00 11.31 H new ATOM 0 HE1 MET A 42 27.293 -5.156 -4.715 1.00 12.04 H new ATOM 0 HE2 MET A 42 26.837 -3.768 -5.731 1.00 12.04 H new ATOM 0 HE3 MET A 42 27.000 -3.567 -3.970 1.00 12.04 H new ATOM 611 N GLY A 43 21.883 -0.954 -0.929 1.00 44.13 N ATOM 612 CA GLY A 43 21.859 -0.082 0.231 1.00 72.24 C ATOM 613 C GLY A 43 21.065 -0.670 1.381 1.00 41.24 C ATOM 614 O GLY A 43 21.617 -1.052 2.412 1.00 21.35 O ATOM 0 H GLY A 43 21.193 -1.705 -0.915 1.00 44.13 H new ATOM 0 HA2 GLY A 43 22.881 0.110 0.559 1.00 72.24 H new ATOM 0 HA3 GLY A 43 21.429 0.879 -0.050 1.00 72.24 H new ATOM 618 N PRO A 44 19.737 -0.746 1.210 1.00 31.10 N ATOM 619 CA PRO A 44 18.837 -1.289 2.232 1.00 24.13 C ATOM 620 C PRO A 44 19.000 -2.795 2.407 1.00 61.11 C ATOM 621 O PRO A 44 18.627 -3.354 3.438 1.00 51.21 O ATOM 622 CB PRO A 44 17.444 -0.961 1.689 1.00 23.13 C ATOM 623 CG PRO A 44 17.627 -0.859 0.214 1.00 0.34 C ATOM 624 CD PRO A 44 19.011 -0.309 0.006 1.00 50.12 C ATOM 0 HA PRO A 44 19.036 -0.866 3.217 1.00 24.13 H new ATOM 0 HB2 PRO A 44 16.726 -1.739 1.946 1.00 23.13 H new ATOM 0 HB3 PRO A 44 17.066 -0.028 2.107 1.00 23.13 H new ATOM 0 HG2 PRO A 44 17.519 -1.834 -0.261 1.00 0.34 H new ATOM 0 HG3 PRO A 44 16.876 -0.204 -0.228 1.00 0.34 H new ATOM 0 HD2 PRO A 44 19.467 -0.702 -0.903 1.00 50.12 H new ATOM 0 HD3 PRO A 44 19.002 0.777 -0.086 1.00 50.12 H new ATOM 632 N ALA A 45 19.560 -3.447 1.393 1.00 51.32 N ATOM 633 CA ALA A 45 19.774 -4.888 1.436 1.00 42.21 C ATOM 634 C ALA A 45 21.018 -5.234 2.247 1.00 3.20 C ATOM 635 O ALA A 45 20.988 -6.120 3.102 1.00 52.53 O ATOM 636 CB ALA A 45 19.889 -5.447 0.025 1.00 1.34 C ATOM 0 H ALA A 45 19.874 -3.000 0.532 1.00 51.32 H new ATOM 0 HA ALA A 45 18.914 -5.344 1.927 1.00 42.21 H new ATOM 0 HB1 ALA A 45 20.049 -6.524 0.072 1.00 1.34 H new ATOM 0 HB2 ALA A 45 18.971 -5.240 -0.524 1.00 1.34 H new ATOM 0 HB3 ALA A 45 20.730 -4.978 -0.485 1.00 1.34 H new ATOM 642 N PHE A 46 22.112 -4.530 1.973 1.00 31.34 N ATOM 643 CA PHE A 46 23.368 -4.765 2.677 1.00 54.40 C ATOM 644 C PHE A 46 23.244 -4.387 4.150 1.00 20.44 C ATOM 645 O PHE A 46 23.997 -4.876 4.992 1.00 33.14 O ATOM 646 CB PHE A 46 24.498 -3.964 2.027 1.00 30.00 C ATOM 647 CG PHE A 46 25.868 -4.396 2.466 1.00 12.03 C ATOM 648 CD1 PHE A 46 26.682 -3.537 3.187 1.00 53.00 C ATOM 649 CD2 PHE A 46 26.342 -5.661 2.158 1.00 52.11 C ATOM 650 CE1 PHE A 46 27.943 -3.931 3.593 1.00 33.41 C ATOM 651 CE2 PHE A 46 27.602 -6.061 2.562 1.00 74.04 C ATOM 652 CZ PHE A 46 28.403 -5.195 3.279 1.00 45.10 C ATOM 0 H PHE A 46 22.154 -3.793 1.269 1.00 31.34 H new ATOM 0 HA PHE A 46 23.600 -5.828 2.611 1.00 54.40 H new ATOM 0 HB2 PHE A 46 24.425 -4.061 0.944 1.00 30.00 H new ATOM 0 HB3 PHE A 46 24.366 -2.908 2.262 1.00 30.00 H new ATOM 0 HD1 PHE A 46 26.327 -2.548 3.435 1.00 53.00 H new ATOM 0 HD2 PHE A 46 25.720 -6.342 1.596 1.00 52.11 H new ATOM 0 HE1 PHE A 46 28.567 -3.252 4.155 1.00 33.41 H new ATOM 0 HE2 PHE A 46 27.959 -7.050 2.317 1.00 74.04 H new ATOM 0 HZ PHE A 46 29.388 -5.505 3.594 1.00 45.10 H new ATOM 662 N ALA A 47 22.289 -3.514 4.453 1.00 2.03 N ATOM 663 CA ALA A 47 22.065 -3.072 5.824 1.00 4.30 C ATOM 664 C ALA A 47 21.606 -4.228 6.706 1.00 54.23 C ATOM 665 O ALA A 47 21.875 -4.251 7.906 1.00 4.41 O ATOM 666 CB ALA A 47 21.045 -1.944 5.855 1.00 53.24 C ATOM 0 H ALA A 47 21.658 -3.099 3.768 1.00 2.03 H new ATOM 0 HA ALA A 47 23.011 -2.702 6.219 1.00 4.30 H new ATOM 0 HB1 ALA A 47 20.888 -1.624 6.885 1.00 53.24 H new ATOM 0 HB2 ALA A 47 21.414 -1.104 5.266 1.00 53.24 H new ATOM 0 HB3 ALA A 47 20.102 -2.295 5.436 1.00 53.24 H new ATOM 672 N ALA A 48 20.909 -5.186 6.102 1.00 4.42 N ATOM 673 CA ALA A 48 20.413 -6.345 6.833 1.00 65.33 C ATOM 674 C ALA A 48 21.320 -7.554 6.626 1.00 43.34 C ATOM 675 O ALA A 48 21.336 -8.477 7.438 1.00 33.13 O ATOM 676 CB ALA A 48 18.991 -6.671 6.403 1.00 53.11 C ATOM 0 H ALA A 48 20.676 -5.182 5.109 1.00 4.42 H new ATOM 0 HA ALA A 48 20.413 -6.101 7.895 1.00 65.33 H new ATOM 0 HB1 ALA A 48 18.633 -7.539 6.957 1.00 53.11 H new ATOM 0 HB2 ALA A 48 18.344 -5.818 6.608 1.00 53.11 H new ATOM 0 HB3 ALA A 48 18.975 -6.890 5.335 1.00 53.11 H new ATOM 682 N GLY A 49 22.075 -7.541 5.531 1.00 41.11 N ATOM 683 CA GLY A 49 22.974 -8.642 5.237 1.00 54.35 C ATOM 684 C GLY A 49 22.349 -9.669 4.313 1.00 43.54 C ATOM 685 O GLY A 49 22.846 -10.789 4.192 1.00 74.40 O ATOM 0 H GLY A 49 22.080 -6.788 4.843 1.00 41.11 H new ATOM 0 HA2 GLY A 49 23.884 -8.252 4.780 1.00 54.35 H new ATOM 0 HA3 GLY A 49 23.267 -9.126 6.168 1.00 54.35 H new ATOM 689 N LEU A 50 21.257 -9.288 3.659 1.00 1.45 N ATOM 690 CA LEU A 50 20.562 -10.184 2.742 1.00 23.32 C ATOM 691 C LEU A 50 21.408 -10.458 1.503 1.00 41.54 C ATOM 692 O LEU A 50 21.632 -9.566 0.683 1.00 23.43 O ATOM 693 CB LEU A 50 19.216 -9.584 2.333 1.00 61.20 C ATOM 694 CG LEU A 50 18.393 -8.953 3.457 1.00 44.35 C ATOM 695 CD1 LEU A 50 18.166 -7.474 3.185 1.00 11.31 C ATOM 696 CD2 LEU A 50 17.065 -9.678 3.617 1.00 1.33 C ATOM 0 H LEU A 50 20.834 -8.364 3.747 1.00 1.45 H new ATOM 0 HA LEU A 50 20.389 -11.129 3.257 1.00 23.32 H new ATOM 0 HB2 LEU A 50 19.396 -8.825 1.571 1.00 61.20 H new ATOM 0 HB3 LEU A 50 18.618 -10.368 1.868 1.00 61.20 H new ATOM 0 HG LEU A 50 18.951 -9.049 4.389 1.00 44.35 H new ATOM 0 HD11 LEU A 50 17.579 -7.041 3.995 1.00 11.31 H new ATOM 0 HD12 LEU A 50 19.127 -6.964 3.121 1.00 11.31 H new ATOM 0 HD13 LEU A 50 17.629 -7.355 2.244 1.00 11.31 H new ATOM 0 HD21 LEU A 50 16.493 -9.216 4.421 1.00 1.33 H new ATOM 0 HD22 LEU A 50 16.501 -9.614 2.687 1.00 1.33 H new ATOM 0 HD23 LEU A 50 17.249 -10.725 3.858 1.00 1.33 H new ATOM 708 N ARG A 51 21.873 -11.696 1.371 1.00 40.40 N ATOM 709 CA ARG A 51 22.693 -12.086 0.231 1.00 61.53 C ATOM 710 C ARG A 51 22.364 -13.508 -0.214 1.00 34.51 C ATOM 711 O ARG A 51 21.529 -14.182 0.391 1.00 52.43 O ATOM 712 CB ARG A 51 24.178 -11.982 0.584 1.00 70.24 C ATOM 713 CG ARG A 51 24.841 -10.718 0.061 1.00 12.04 C ATOM 714 CD ARG A 51 25.357 -10.905 -1.357 1.00 2.34 C ATOM 715 NE ARG A 51 26.593 -10.162 -1.592 1.00 15.15 N ATOM 716 CZ ARG A 51 27.108 -9.956 -2.798 1.00 40.03 C ATOM 717 NH1 ARG A 51 26.498 -10.434 -3.874 1.00 31.21 N ATOM 718 NH2 ARG A 51 28.236 -9.270 -2.931 1.00 0.10 N ATOM 0 H ARG A 51 21.696 -12.446 2.039 1.00 40.40 H new ATOM 0 HA ARG A 51 22.474 -11.406 -0.592 1.00 61.53 H new ATOM 0 HB2 ARG A 51 24.289 -12.018 1.668 1.00 70.24 H new ATOM 0 HB3 ARG A 51 24.700 -12.850 0.181 1.00 70.24 H new ATOM 0 HG2 ARG A 51 24.127 -9.895 0.084 1.00 12.04 H new ATOM 0 HG3 ARG A 51 25.667 -10.441 0.716 1.00 12.04 H new ATOM 0 HD2 ARG A 51 25.530 -11.965 -1.543 1.00 2.34 H new ATOM 0 HD3 ARG A 51 24.597 -10.577 -2.066 1.00 2.34 H new ATOM 0 HE ARG A 51 27.087 -9.781 -0.785 1.00 15.15 H new ATOM 0 HH11 ARG A 51 25.631 -10.962 -3.776 1.00 31.21 H new ATOM 0 HH12 ARG A 51 26.896 -10.274 -4.799 1.00 31.21 H new ATOM 0 HH21 ARG A 51 28.708 -8.900 -2.106 1.00 0.10 H new ATOM 0 HH22 ARG A 51 28.631 -9.112 -3.858 1.00 0.10 H new ATOM 732 N VAL A 52 23.025 -13.959 -1.275 1.00 72.43 N ATOM 733 CA VAL A 52 22.803 -15.301 -1.801 1.00 20.21 C ATOM 734 C VAL A 52 23.206 -16.363 -0.784 1.00 64.23 C ATOM 735 O VAL A 52 24.309 -16.329 -0.240 1.00 20.42 O ATOM 736 CB VAL A 52 23.589 -15.530 -3.105 1.00 43.04 C ATOM 737 CG1 VAL A 52 23.117 -14.572 -4.189 1.00 23.14 C ATOM 738 CG2 VAL A 52 25.083 -15.377 -2.861 1.00 11.24 C ATOM 0 H VAL A 52 23.719 -13.415 -1.788 1.00 72.43 H new ATOM 0 HA VAL A 52 21.737 -15.387 -2.009 1.00 20.21 H new ATOM 0 HB VAL A 52 23.402 -16.548 -3.447 1.00 43.04 H new ATOM 0 HG11 VAL A 52 23.684 -14.749 -5.103 1.00 23.14 H new ATOM 0 HG12 VAL A 52 22.057 -14.735 -4.382 1.00 23.14 H new ATOM 0 HG13 VAL A 52 23.272 -13.545 -3.859 1.00 23.14 H new ATOM 0 HG21 VAL A 52 25.623 -15.542 -3.793 1.00 11.24 H new ATOM 0 HG22 VAL A 52 25.291 -14.372 -2.495 1.00 11.24 H new ATOM 0 HG23 VAL A 52 25.407 -16.107 -2.120 1.00 11.24 H new ATOM 748 N GLY A 53 22.304 -17.307 -0.533 1.00 63.42 N ATOM 749 CA GLY A 53 22.585 -18.367 0.418 1.00 72.24 C ATOM 750 C GLY A 53 21.530 -18.467 1.502 1.00 24.31 C ATOM 751 O GLY A 53 20.908 -19.515 1.678 1.00 63.14 O ATOM 0 H GLY A 53 21.384 -17.357 -0.971 1.00 63.42 H new ATOM 0 HA2 GLY A 53 22.650 -19.318 -0.111 1.00 72.24 H new ATOM 0 HA3 GLY A 53 23.558 -18.191 0.877 1.00 72.24 H new ATOM 755 N ASP A 54 21.330 -17.376 2.232 1.00 11.13 N ATOM 756 CA ASP A 54 20.344 -17.345 3.306 1.00 32.03 C ATOM 757 C ASP A 54 18.930 -17.480 2.750 1.00 71.13 C ATOM 758 O ASP A 54 18.618 -16.945 1.686 1.00 23.40 O ATOM 759 CB ASP A 54 20.469 -16.047 4.105 1.00 11.13 C ATOM 760 CG ASP A 54 20.367 -14.815 3.228 1.00 43.23 C ATOM 761 OD1 ASP A 54 19.257 -14.528 2.733 1.00 33.12 O ATOM 762 OD2 ASP A 54 21.398 -14.137 3.036 1.00 1.21 O ATOM 0 H ASP A 54 21.837 -16.501 2.100 1.00 11.13 H new ATOM 0 HA ASP A 54 20.537 -18.190 3.967 1.00 32.03 H new ATOM 0 HB2 ASP A 54 19.688 -16.015 4.864 1.00 11.13 H new ATOM 0 HB3 ASP A 54 21.424 -16.038 4.630 1.00 11.13 H new ATOM 767 N GLN A 55 18.080 -18.199 3.476 1.00 53.31 N ATOM 768 CA GLN A 55 16.700 -18.405 3.053 1.00 34.10 C ATOM 769 C GLN A 55 15.758 -17.456 3.787 1.00 73.31 C ATOM 770 O GLN A 55 15.909 -17.219 4.986 1.00 10.11 O ATOM 771 CB GLN A 55 16.279 -19.855 3.302 1.00 11.55 C ATOM 772 CG GLN A 55 17.181 -20.875 2.628 1.00 44.35 C ATOM 773 CD GLN A 55 17.344 -22.141 3.445 1.00 43.00 C ATOM 774 OE1 GLN A 55 17.241 -22.119 4.672 1.00 64.21 O ATOM 775 NE2 GLN A 55 17.600 -23.254 2.768 1.00 72.31 N ATOM 0 H GLN A 55 18.322 -18.648 4.359 1.00 53.31 H new ATOM 0 HA GLN A 55 16.638 -18.195 1.985 1.00 34.10 H new ATOM 0 HB2 GLN A 55 16.271 -20.043 4.376 1.00 11.55 H new ATOM 0 HB3 GLN A 55 15.258 -19.994 2.946 1.00 11.55 H new ATOM 0 HG2 GLN A 55 16.770 -21.128 1.651 1.00 44.35 H new ATOM 0 HG3 GLN A 55 18.161 -20.430 2.456 1.00 44.35 H new ATOM 0 HE21 GLN A 55 17.677 -23.226 1.751 1.00 72.31 H new ATOM 0 HE22 GLN A 55 17.720 -24.137 3.265 1.00 72.31 H new ATOM 784 N LEU A 56 14.786 -16.916 3.060 1.00 31.11 N ATOM 785 CA LEU A 56 13.819 -15.992 3.642 1.00 35.10 C ATOM 786 C LEU A 56 12.427 -16.615 3.683 1.00 31.23 C ATOM 787 O LEU A 56 11.878 -17.004 2.652 1.00 43.31 O ATOM 788 CB LEU A 56 13.783 -14.689 2.841 1.00 32.15 C ATOM 789 CG LEU A 56 15.137 -14.034 2.565 1.00 55.01 C ATOM 790 CD1 LEU A 56 15.756 -14.603 1.298 1.00 24.53 C ATOM 791 CD2 LEU A 56 14.985 -12.524 2.455 1.00 45.25 C ATOM 0 H LEU A 56 14.647 -17.102 2.067 1.00 31.11 H new ATOM 0 HA LEU A 56 14.130 -15.775 4.664 1.00 35.10 H new ATOM 0 HB2 LEU A 56 13.296 -14.886 1.886 1.00 32.15 H new ATOM 0 HB3 LEU A 56 13.158 -13.974 3.376 1.00 32.15 H new ATOM 0 HG LEU A 56 15.803 -14.253 3.400 1.00 55.01 H new ATOM 0 HD11 LEU A 56 16.719 -14.125 1.117 1.00 24.53 H new ATOM 0 HD12 LEU A 56 15.900 -15.677 1.414 1.00 24.53 H new ATOM 0 HD13 LEU A 56 15.093 -14.415 0.453 1.00 24.53 H new ATOM 0 HD21 LEU A 56 15.958 -12.074 2.259 1.00 45.25 H new ATOM 0 HD22 LEU A 56 14.303 -12.285 1.639 1.00 45.25 H new ATOM 0 HD23 LEU A 56 14.585 -12.130 3.389 1.00 45.25 H new ATOM 803 N VAL A 57 11.860 -16.706 4.882 1.00 12.41 N ATOM 804 CA VAL A 57 10.530 -17.278 5.058 1.00 65.12 C ATOM 805 C VAL A 57 9.571 -16.263 5.668 1.00 51.41 C ATOM 806 O VAL A 57 8.418 -16.153 5.249 1.00 23.34 O ATOM 807 CB VAL A 57 10.573 -18.530 5.953 1.00 33.55 C ATOM 808 CG1 VAL A 57 11.285 -18.227 7.263 1.00 62.14 C ATOM 809 CG2 VAL A 57 9.166 -19.049 6.210 1.00 12.14 C ATOM 0 H VAL A 57 12.301 -16.391 5.746 1.00 12.41 H new ATOM 0 HA VAL A 57 10.173 -17.560 4.068 1.00 65.12 H new ATOM 0 HB VAL A 57 11.134 -19.307 5.434 1.00 33.55 H new ATOM 0 HG11 VAL A 57 11.305 -19.124 7.882 1.00 62.14 H new ATOM 0 HG12 VAL A 57 12.306 -17.906 7.056 1.00 62.14 H new ATOM 0 HG13 VAL A 57 10.755 -17.434 7.790 1.00 62.14 H new ATOM 0 HG21 VAL A 57 9.215 -19.934 6.844 1.00 12.14 H new ATOM 0 HG22 VAL A 57 8.579 -18.278 6.708 1.00 12.14 H new ATOM 0 HG23 VAL A 57 8.695 -19.308 5.262 1.00 12.14 H new ATOM 819 N ARG A 58 10.055 -15.521 6.659 1.00 54.11 N ATOM 820 CA ARG A 58 9.239 -14.514 7.328 1.00 45.04 C ATOM 821 C ARG A 58 7.916 -15.110 7.798 1.00 70.42 C ATOM 822 O ARG A 58 6.902 -14.416 7.871 1.00 34.52 O ATOM 823 CB ARG A 58 8.975 -13.335 6.389 1.00 62.41 C ATOM 824 CG ARG A 58 8.502 -12.081 7.105 1.00 51.23 C ATOM 825 CD ARG A 58 7.094 -11.694 6.679 1.00 21.32 C ATOM 826 NE ARG A 58 6.343 -11.078 7.769 1.00 13.13 N ATOM 827 CZ ARG A 58 5.032 -10.863 7.729 1.00 5.31 C ATOM 828 NH1 ARG A 58 4.332 -11.213 6.659 1.00 44.51 N ATOM 829 NH2 ARG A 58 4.420 -10.297 8.761 1.00 11.32 N ATOM 0 H ARG A 58 11.007 -15.598 7.016 1.00 54.11 H new ATOM 0 HA ARG A 58 9.788 -14.159 8.201 1.00 45.04 H new ATOM 0 HB2 ARG A 58 9.889 -13.107 5.840 1.00 62.41 H new ATOM 0 HB3 ARG A 58 8.226 -13.628 5.654 1.00 62.41 H new ATOM 0 HG2 ARG A 58 8.525 -12.245 8.182 1.00 51.23 H new ATOM 0 HG3 ARG A 58 9.186 -11.260 6.893 1.00 51.23 H new ATOM 0 HD2 ARG A 58 7.147 -11.002 5.839 1.00 21.32 H new ATOM 0 HD3 ARG A 58 6.564 -12.580 6.329 1.00 21.32 H new ATOM 0 HE ARG A 58 6.852 -10.797 8.607 1.00 13.13 H new ATOM 0 HH11 ARG A 58 4.799 -11.648 5.864 1.00 44.51 H new ATOM 0 HH12 ARG A 58 3.326 -11.047 6.631 1.00 44.51 H new ATOM 0 HH21 ARG A 58 4.956 -10.026 9.586 1.00 11.32 H new ATOM 0 HH22 ARG A 58 3.414 -10.132 8.730 1.00 11.32 H new ATOM 843 N PHE A 59 7.934 -16.401 8.115 1.00 52.25 N ATOM 844 CA PHE A 59 6.735 -17.091 8.576 1.00 21.30 C ATOM 845 C PHE A 59 7.074 -18.095 9.674 1.00 5.13 C ATOM 846 O PHE A 59 8.154 -18.685 9.678 1.00 22.14 O ATOM 847 CB PHE A 59 6.052 -17.807 7.409 1.00 71.10 C ATOM 848 CG PHE A 59 4.823 -18.572 7.811 1.00 3.32 C ATOM 849 CD1 PHE A 59 3.593 -17.940 7.892 1.00 41.52 C ATOM 850 CD2 PHE A 59 4.899 -19.923 8.109 1.00 12.24 C ATOM 851 CE1 PHE A 59 2.460 -18.640 8.261 1.00 24.33 C ATOM 852 CE2 PHE A 59 3.770 -20.629 8.479 1.00 13.20 C ATOM 853 CZ PHE A 59 2.549 -19.987 8.556 1.00 2.43 C ATOM 0 H PHE A 59 8.765 -16.990 8.061 1.00 52.25 H new ATOM 0 HA PHE A 59 6.053 -16.346 8.986 1.00 21.30 H new ATOM 0 HB2 PHE A 59 5.781 -17.072 6.651 1.00 71.10 H new ATOM 0 HB3 PHE A 59 6.763 -18.493 6.948 1.00 71.10 H new ATOM 0 HD1 PHE A 59 3.519 -16.887 7.664 1.00 41.52 H new ATOM 0 HD2 PHE A 59 5.851 -20.430 8.052 1.00 12.24 H new ATOM 0 HE1 PHE A 59 1.507 -18.135 8.319 1.00 24.33 H new ATOM 0 HE2 PHE A 59 3.842 -21.682 8.708 1.00 13.20 H new ATOM 0 HZ PHE A 59 1.666 -20.537 8.846 1.00 2.43 H new ATOM 863 N ALA A 60 6.144 -18.282 10.605 1.00 40.13 N ATOM 864 CA ALA A 60 6.343 -19.214 11.707 1.00 31.23 C ATOM 865 C ALA A 60 6.206 -20.658 11.237 1.00 61.22 C ATOM 866 O ALA A 60 5.100 -21.140 10.995 1.00 64.34 O ATOM 867 CB ALA A 60 5.354 -18.926 12.827 1.00 12.10 C ATOM 0 H ALA A 60 5.245 -17.800 10.617 1.00 40.13 H new ATOM 0 HA ALA A 60 7.356 -19.078 12.087 1.00 31.23 H new ATOM 0 HB1 ALA A 60 5.514 -19.630 13.644 1.00 12.10 H new ATOM 0 HB2 ALA A 60 5.502 -17.909 13.190 1.00 12.10 H new ATOM 0 HB3 ALA A 60 4.337 -19.033 12.450 1.00 12.10 H new ATOM 873 N GLY A 61 7.338 -21.344 11.109 1.00 40.04 N ATOM 874 CA GLY A 61 7.322 -22.726 10.666 1.00 30.14 C ATOM 875 C GLY A 61 8.436 -23.034 9.685 1.00 11.05 C ATOM 876 O GLY A 61 8.661 -24.192 9.334 1.00 34.52 O ATOM 0 H GLY A 61 8.266 -20.967 11.304 1.00 40.04 H new ATOM 0 HA2 GLY A 61 7.412 -23.383 11.531 1.00 30.14 H new ATOM 0 HA3 GLY A 61 6.361 -22.944 10.200 1.00 30.14 H new ATOM 880 N TYR A 62 9.134 -21.995 9.241 1.00 61.22 N ATOM 881 CA TYR A 62 10.228 -22.160 8.291 1.00 40.30 C ATOM 882 C TYR A 62 9.733 -22.795 6.995 1.00 43.31 C ATOM 883 O TYR A 62 10.419 -23.621 6.392 1.00 44.20 O ATOM 884 CB TYR A 62 11.337 -23.018 8.902 1.00 72.42 C ATOM 885 CG TYR A 62 11.549 -22.773 10.378 1.00 10.55 C ATOM 886 CD1 TYR A 62 12.288 -21.682 10.822 1.00 32.50 C ATOM 887 CD2 TYR A 62 11.012 -23.630 11.330 1.00 32.51 C ATOM 888 CE1 TYR A 62 12.485 -21.454 12.170 1.00 30.12 C ATOM 889 CE2 TYR A 62 11.203 -23.409 12.680 1.00 34.12 C ATOM 890 CZ TYR A 62 11.940 -22.320 13.095 1.00 10.13 C ATOM 891 OH TYR A 62 12.133 -22.097 14.439 1.00 5.23 O ATOM 0 H TYR A 62 8.962 -21.030 9.523 1.00 61.22 H new ATOM 0 HA TYR A 62 10.628 -21.172 8.061 1.00 40.30 H new ATOM 0 HB2 TYR A 62 11.097 -24.070 8.748 1.00 72.42 H new ATOM 0 HB3 TYR A 62 12.269 -22.823 8.372 1.00 72.42 H new ATOM 0 HD1 TYR A 62 12.715 -21.001 10.101 1.00 32.50 H new ATOM 0 HD2 TYR A 62 10.435 -24.484 11.009 1.00 32.51 H new ATOM 0 HE1 TYR A 62 13.063 -20.602 12.498 1.00 30.12 H new ATOM 0 HE2 TYR A 62 10.777 -24.085 13.406 1.00 34.12 H new ATOM 0 HH TYR A 62 11.683 -22.798 14.955 1.00 5.23 H new ATOM 901 N THR A 63 8.536 -22.402 6.571 1.00 61.05 N ATOM 902 CA THR A 63 7.947 -22.932 5.347 1.00 44.50 C ATOM 903 C THR A 63 7.873 -21.861 4.264 1.00 4.13 C ATOM 904 O THR A 63 7.496 -20.720 4.530 1.00 3.44 O ATOM 905 CB THR A 63 6.534 -23.489 5.599 1.00 32.02 C ATOM 906 OG1 THR A 63 5.898 -23.795 4.353 1.00 1.40 O ATOM 907 CG2 THR A 63 5.688 -22.490 6.374 1.00 43.50 C ATOM 0 H THR A 63 7.955 -21.719 7.057 1.00 61.05 H new ATOM 0 HA THR A 63 8.594 -23.742 5.010 1.00 44.50 H new ATOM 0 HB THR A 63 6.627 -24.399 6.192 1.00 32.02 H new ATOM 0 HG1 THR A 63 5.001 -24.150 4.522 1.00 1.40 H new ATOM 0 HG21 THR A 63 4.694 -22.906 6.540 1.00 43.50 H new ATOM 0 HG22 THR A 63 6.159 -22.282 7.335 1.00 43.50 H new ATOM 0 HG23 THR A 63 5.603 -21.565 5.804 1.00 43.50 H new ATOM 915 N VAL A 64 8.235 -22.236 3.042 1.00 62.35 N ATOM 916 CA VAL A 64 8.208 -21.308 1.917 1.00 30.24 C ATOM 917 C VAL A 64 7.683 -21.987 0.657 1.00 5.21 C ATOM 918 O VAL A 64 7.778 -23.206 0.509 1.00 13.21 O ATOM 919 CB VAL A 64 9.607 -20.731 1.632 1.00 2.01 C ATOM 920 CG1 VAL A 64 9.516 -19.566 0.659 1.00 51.24 C ATOM 921 CG2 VAL A 64 10.281 -20.303 2.927 1.00 13.12 C ATOM 0 H VAL A 64 8.551 -23.176 2.805 1.00 62.35 H new ATOM 0 HA VAL A 64 7.537 -20.494 2.194 1.00 30.24 H new ATOM 0 HB VAL A 64 10.215 -21.510 1.173 1.00 2.01 H new ATOM 0 HG11 VAL A 64 10.514 -19.171 0.470 1.00 51.24 H new ATOM 0 HG12 VAL A 64 9.077 -19.908 -0.278 1.00 51.24 H new ATOM 0 HG13 VAL A 64 8.891 -18.782 1.087 1.00 51.24 H new ATOM 0 HG21 VAL A 64 11.269 -19.898 2.707 1.00 13.12 H new ATOM 0 HG22 VAL A 64 9.677 -19.540 3.417 1.00 13.12 H new ATOM 0 HG23 VAL A 64 10.382 -21.165 3.587 1.00 13.12 H new ATOM 931 N THR A 65 7.130 -21.189 -0.251 1.00 60.34 N ATOM 932 CA THR A 65 6.590 -21.712 -1.500 1.00 35.23 C ATOM 933 C THR A 65 7.579 -21.533 -2.645 1.00 40.33 C ATOM 934 O THR A 65 8.167 -22.501 -3.127 1.00 14.23 O ATOM 935 CB THR A 65 5.263 -21.023 -1.870 1.00 14.12 C ATOM 936 OG1 THR A 65 4.303 -21.215 -0.825 1.00 34.20 O ATOM 937 CG2 THR A 65 4.714 -21.573 -3.178 1.00 15.24 C ATOM 0 H THR A 65 7.044 -20.178 -0.145 1.00 60.34 H new ATOM 0 HA THR A 65 6.408 -22.775 -1.345 1.00 35.23 H new ATOM 0 HB THR A 65 5.455 -19.957 -1.995 1.00 14.12 H new ATOM 0 HG1 THR A 65 3.463 -20.772 -1.067 1.00 34.20 H new ATOM 0 HG21 THR A 65 3.777 -21.071 -3.419 1.00 15.24 H new ATOM 0 HG22 THR A 65 5.435 -21.398 -3.977 1.00 15.24 H new ATOM 0 HG23 THR A 65 4.537 -22.644 -3.077 1.00 15.24 H new ATOM 945 N GLU A 66 7.759 -20.288 -3.077 1.00 32.15 N ATOM 946 CA GLU A 66 8.678 -19.983 -4.167 1.00 22.45 C ATOM 947 C GLU A 66 8.783 -18.477 -4.385 1.00 55.31 C ATOM 948 O GLU A 66 8.246 -17.686 -3.608 1.00 32.44 O ATOM 949 CB GLU A 66 8.219 -20.666 -5.457 1.00 22.35 C ATOM 950 CG GLU A 66 6.845 -20.219 -5.926 1.00 61.23 C ATOM 951 CD GLU A 66 6.752 -20.109 -7.436 1.00 32.22 C ATOM 952 OE1 GLU A 66 6.397 -21.117 -8.083 1.00 32.05 O ATOM 953 OE2 GLU A 66 7.034 -19.017 -7.970 1.00 53.42 O ATOM 0 H GLU A 66 7.281 -19.475 -2.689 1.00 32.15 H new ATOM 0 HA GLU A 66 9.663 -20.362 -3.894 1.00 22.45 H new ATOM 0 HB2 GLU A 66 8.946 -20.464 -6.244 1.00 22.35 H new ATOM 0 HB3 GLU A 66 8.208 -21.745 -5.303 1.00 22.35 H new ATOM 0 HG2 GLU A 66 6.096 -20.926 -5.570 1.00 61.23 H new ATOM 0 HG3 GLU A 66 6.609 -19.253 -5.480 1.00 61.23 H new ATOM 960 N LEU A 67 9.477 -18.086 -5.448 1.00 3.13 N ATOM 961 CA LEU A 67 9.654 -16.674 -5.770 1.00 35.03 C ATOM 962 C LEU A 67 8.306 -15.967 -5.872 1.00 40.44 C ATOM 963 O LEU A 67 8.209 -14.760 -5.651 1.00 32.15 O ATOM 964 CB LEU A 67 10.423 -16.522 -7.083 1.00 23.32 C ATOM 965 CG LEU A 67 9.766 -17.134 -8.321 1.00 2.14 C ATOM 966 CD1 LEU A 67 9.085 -16.057 -9.151 1.00 1.24 C ATOM 967 CD2 LEU A 67 10.795 -17.883 -9.156 1.00 13.44 C ATOM 0 H LEU A 67 9.927 -18.727 -6.102 1.00 3.13 H new ATOM 0 HA LEU A 67 10.227 -16.212 -4.966 1.00 35.03 H new ATOM 0 HB2 LEU A 67 10.580 -15.459 -7.268 1.00 23.32 H new ATOM 0 HB3 LEU A 67 11.407 -16.973 -6.958 1.00 23.32 H new ATOM 0 HG LEU A 67 9.008 -17.845 -7.993 1.00 2.14 H new ATOM 0 HD11 LEU A 67 8.623 -16.511 -10.028 1.00 1.24 H new ATOM 0 HD12 LEU A 67 8.319 -15.565 -8.551 1.00 1.24 H new ATOM 0 HD13 LEU A 67 9.824 -15.322 -9.470 1.00 1.24 H new ATOM 0 HD21 LEU A 67 10.310 -18.312 -10.033 1.00 13.44 H new ATOM 0 HD22 LEU A 67 11.577 -17.193 -9.475 1.00 13.44 H new ATOM 0 HD23 LEU A 67 11.237 -18.681 -8.559 1.00 13.44 H new ATOM 979 N ALA A 68 7.269 -16.727 -6.208 1.00 53.50 N ATOM 980 CA ALA A 68 5.926 -16.173 -6.336 1.00 21.44 C ATOM 981 C ALA A 68 5.395 -15.705 -4.985 1.00 75.52 C ATOM 982 O ALA A 68 4.807 -14.629 -4.878 1.00 22.42 O ATOM 983 CB ALA A 68 4.987 -17.203 -6.947 1.00 1.13 C ATOM 0 H ALA A 68 7.333 -17.727 -6.396 1.00 53.50 H new ATOM 0 HA ALA A 68 5.977 -15.307 -6.996 1.00 21.44 H new ATOM 0 HB1 ALA A 68 3.988 -16.776 -7.037 1.00 1.13 H new ATOM 0 HB2 ALA A 68 5.351 -17.486 -7.935 1.00 1.13 H new ATOM 0 HB3 ALA A 68 4.949 -18.085 -6.308 1.00 1.13 H new ATOM 989 N ALA A 69 5.604 -16.521 -3.957 1.00 71.31 N ATOM 990 CA ALA A 69 5.147 -16.190 -2.613 1.00 53.34 C ATOM 991 C ALA A 69 5.885 -14.972 -2.067 1.00 73.12 C ATOM 992 O ALA A 69 5.314 -14.165 -1.334 1.00 15.21 O ATOM 993 CB ALA A 69 5.330 -17.381 -1.685 1.00 0.24 C ATOM 0 H ALA A 69 6.087 -17.416 -4.029 1.00 71.31 H new ATOM 0 HA ALA A 69 4.086 -15.945 -2.666 1.00 53.34 H new ATOM 0 HB1 ALA A 69 4.985 -17.119 -0.685 1.00 0.24 H new ATOM 0 HB2 ALA A 69 4.752 -18.226 -2.059 1.00 0.24 H new ATOM 0 HB3 ALA A 69 6.385 -17.652 -1.645 1.00 0.24 H new ATOM 999 N PHE A 70 7.157 -14.846 -2.429 1.00 24.25 N ATOM 1000 CA PHE A 70 7.974 -13.727 -1.973 1.00 23.40 C ATOM 1001 C PHE A 70 7.507 -12.420 -2.605 1.00 50.24 C ATOM 1002 O PHE A 70 7.571 -11.360 -1.984 1.00 42.12 O ATOM 1003 CB PHE A 70 9.446 -13.973 -2.310 1.00 44.33 C ATOM 1004 CG PHE A 70 10.334 -12.799 -2.010 1.00 52.44 C ATOM 1005 CD1 PHE A 70 10.726 -11.934 -3.019 1.00 53.25 C ATOM 1006 CD2 PHE A 70 10.777 -12.560 -0.719 1.00 74.03 C ATOM 1007 CE1 PHE A 70 11.542 -10.852 -2.747 1.00 31.21 C ATOM 1008 CE2 PHE A 70 11.593 -11.480 -0.441 1.00 15.14 C ATOM 1009 CZ PHE A 70 11.977 -10.626 -1.456 1.00 13.32 C ATOM 0 H PHE A 70 7.645 -15.504 -3.037 1.00 24.25 H new ATOM 0 HA PHE A 70 7.865 -13.646 -0.892 1.00 23.40 H new ATOM 0 HB2 PHE A 70 9.799 -14.838 -1.749 1.00 44.33 H new ATOM 0 HB3 PHE A 70 9.532 -14.222 -3.368 1.00 44.33 H new ATOM 0 HD1 PHE A 70 10.390 -12.107 -4.031 1.00 53.25 H new ATOM 0 HD2 PHE A 70 10.481 -13.225 0.079 1.00 74.03 H new ATOM 0 HE1 PHE A 70 11.839 -10.185 -3.543 1.00 31.21 H new ATOM 0 HE2 PHE A 70 11.930 -11.304 0.570 1.00 15.14 H new ATOM 0 HZ PHE A 70 12.616 -9.783 -1.241 1.00 13.32 H new ATOM 1019 N ASN A 71 7.037 -12.504 -3.846 1.00 22.12 N ATOM 1020 CA ASN A 71 6.560 -11.328 -4.564 1.00 11.21 C ATOM 1021 C ASN A 71 5.393 -10.677 -3.828 1.00 34.53 C ATOM 1022 O ASN A 71 5.238 -9.456 -3.842 1.00 15.22 O ATOM 1023 CB ASN A 71 6.134 -11.709 -5.983 1.00 75.10 C ATOM 1024 CG ASN A 71 6.002 -10.502 -6.891 1.00 42.13 C ATOM 1025 OD1 ASN A 71 5.168 -9.626 -6.662 1.00 34.41 O ATOM 1026 ND2 ASN A 71 6.828 -10.450 -7.930 1.00 24.33 N ATOM 0 H ASN A 71 6.977 -13.374 -4.375 1.00 22.12 H new ATOM 0 HA ASN A 71 7.378 -10.610 -4.618 1.00 11.21 H new ATOM 0 HB2 ASN A 71 6.864 -12.400 -6.405 1.00 75.10 H new ATOM 0 HB3 ASN A 71 5.181 -12.237 -5.944 1.00 75.10 H new ATOM 0 HD21 ASN A 71 6.786 -9.662 -8.576 1.00 24.33 H new ATOM 0 HD22 ASN A 71 7.504 -11.198 -8.082 1.00 24.33 H new ATOM 1033 N THR A 72 4.573 -11.502 -3.183 1.00 72.45 N ATOM 1034 CA THR A 72 3.419 -11.009 -2.442 1.00 4.12 C ATOM 1035 C THR A 72 3.849 -10.320 -1.151 1.00 60.35 C ATOM 1036 O THR A 72 3.316 -9.272 -0.788 1.00 34.00 O ATOM 1037 CB THR A 72 2.441 -12.149 -2.101 1.00 10.30 C ATOM 1038 OG1 THR A 72 2.777 -13.323 -2.849 1.00 54.42 O ATOM 1039 CG2 THR A 72 1.007 -11.740 -2.405 1.00 24.24 C ATOM 0 H THR A 72 4.687 -12.515 -3.159 1.00 72.45 H new ATOM 0 HA THR A 72 2.914 -10.288 -3.085 1.00 4.12 H new ATOM 0 HB THR A 72 2.523 -12.363 -1.035 1.00 10.30 H new ATOM 0 HG1 THR A 72 3.492 -13.810 -2.389 1.00 54.42 H new ATOM 0 HG21 THR A 72 0.334 -12.561 -2.156 1.00 24.24 H new ATOM 0 HG22 THR A 72 0.745 -10.864 -1.812 1.00 24.24 H new ATOM 0 HG23 THR A 72 0.913 -11.502 -3.465 1.00 24.24 H new ATOM 1047 N VAL A 73 4.817 -10.916 -0.462 1.00 43.13 N ATOM 1048 CA VAL A 73 5.320 -10.358 0.788 1.00 61.45 C ATOM 1049 C VAL A 73 6.122 -9.086 0.538 1.00 24.24 C ATOM 1050 O VAL A 73 5.916 -8.070 1.201 1.00 4.53 O ATOM 1051 CB VAL A 73 6.205 -11.371 1.538 1.00 32.41 C ATOM 1052 CG1 VAL A 73 6.825 -10.730 2.770 1.00 53.51 C ATOM 1053 CG2 VAL A 73 5.398 -12.604 1.918 1.00 41.01 C ATOM 0 H VAL A 73 5.268 -11.785 -0.748 1.00 43.13 H new ATOM 0 HA VAL A 73 4.451 -10.121 1.402 1.00 61.45 H new ATOM 0 HB VAL A 73 7.012 -11.682 0.875 1.00 32.41 H new ATOM 0 HG11 VAL A 73 7.447 -11.461 3.287 1.00 53.51 H new ATOM 0 HG12 VAL A 73 7.438 -9.881 2.469 1.00 53.51 H new ATOM 0 HG13 VAL A 73 6.035 -10.388 3.439 1.00 53.51 H new ATOM 0 HG21 VAL A 73 6.039 -13.309 2.447 1.00 41.01 H new ATOM 0 HG22 VAL A 73 4.569 -12.312 2.563 1.00 41.01 H new ATOM 0 HG23 VAL A 73 5.007 -13.075 1.016 1.00 41.01 H new ATOM 1063 N VAL A 74 7.039 -9.150 -0.423 1.00 15.53 N ATOM 1064 CA VAL A 74 7.872 -8.002 -0.761 1.00 53.05 C ATOM 1065 C VAL A 74 7.019 -6.804 -1.166 1.00 25.24 C ATOM 1066 O VAL A 74 7.372 -5.658 -0.891 1.00 10.33 O ATOM 1067 CB VAL A 74 8.846 -8.335 -1.907 1.00 2.40 C ATOM 1068 CG1 VAL A 74 8.086 -8.569 -3.204 1.00 3.24 C ATOM 1069 CG2 VAL A 74 9.871 -7.223 -2.074 1.00 3.05 C ATOM 0 H VAL A 74 7.223 -9.984 -0.980 1.00 15.53 H new ATOM 0 HA VAL A 74 8.444 -7.751 0.132 1.00 53.05 H new ATOM 0 HB VAL A 74 9.376 -9.253 -1.654 1.00 2.40 H new ATOM 0 HG11 VAL A 74 8.791 -8.803 -4.002 1.00 3.24 H new ATOM 0 HG12 VAL A 74 7.394 -9.402 -3.075 1.00 3.24 H new ATOM 0 HG13 VAL A 74 7.527 -7.670 -3.466 1.00 3.24 H new ATOM 0 HG21 VAL A 74 10.551 -7.474 -2.888 1.00 3.05 H new ATOM 0 HG22 VAL A 74 9.360 -6.288 -2.304 1.00 3.05 H new ATOM 0 HG23 VAL A 74 10.437 -7.109 -1.150 1.00 3.05 H new ATOM 1079 N ALA A 75 5.895 -7.078 -1.820 1.00 25.54 N ATOM 1080 CA ALA A 75 4.991 -6.024 -2.260 1.00 11.45 C ATOM 1081 C ALA A 75 4.463 -5.223 -1.074 1.00 2.02 C ATOM 1082 O ALA A 75 4.421 -3.993 -1.113 1.00 21.24 O ATOM 1083 CB ALA A 75 3.837 -6.616 -3.055 1.00 13.24 C ATOM 0 H ALA A 75 5.589 -8.022 -2.057 1.00 25.54 H new ATOM 0 HA ALA A 75 5.550 -5.345 -2.904 1.00 11.45 H new ATOM 0 HB1 ALA A 75 3.169 -5.817 -3.377 1.00 13.24 H new ATOM 0 HB2 ALA A 75 4.227 -7.138 -3.929 1.00 13.24 H new ATOM 0 HB3 ALA A 75 3.286 -7.318 -2.429 1.00 13.24 H new ATOM 1089 N ARG A 76 4.061 -5.928 -0.022 1.00 21.14 N ATOM 1090 CA ARG A 76 3.534 -5.282 1.175 1.00 61.54 C ATOM 1091 C ARG A 76 4.666 -4.848 2.101 1.00 11.31 C ATOM 1092 O ARG A 76 4.486 -3.975 2.951 1.00 41.31 O ATOM 1093 CB ARG A 76 2.589 -6.229 1.916 1.00 34.04 C ATOM 1094 CG ARG A 76 1.636 -6.980 1.000 1.00 24.23 C ATOM 1095 CD ARG A 76 0.990 -6.050 -0.015 1.00 20.34 C ATOM 1096 NE ARG A 76 -0.288 -6.569 -0.496 1.00 2.43 N ATOM 1097 CZ ARG A 76 -1.408 -6.541 0.218 1.00 3.21 C ATOM 1098 NH1 ARG A 76 -1.407 -6.022 1.438 1.00 34.23 N ATOM 1099 NH2 ARG A 76 -2.531 -7.032 -0.289 1.00 33.02 N ATOM 0 H ARG A 76 4.090 -6.946 0.026 1.00 21.14 H new ATOM 0 HA ARG A 76 2.980 -4.395 0.866 1.00 61.54 H new ATOM 0 HB2 ARG A 76 3.180 -6.950 2.481 1.00 34.04 H new ATOM 0 HB3 ARG A 76 2.008 -5.657 2.639 1.00 34.04 H new ATOM 0 HG2 ARG A 76 2.177 -7.770 0.479 1.00 24.23 H new ATOM 0 HG3 ARG A 76 0.862 -7.464 1.596 1.00 24.23 H new ATOM 0 HD2 ARG A 76 0.836 -5.070 0.437 1.00 20.34 H new ATOM 0 HD3 ARG A 76 1.665 -5.909 -0.859 1.00 20.34 H new ATOM 0 HE ARG A 76 -0.322 -6.975 -1.431 1.00 2.43 H new ATOM 0 HH11 ARG A 76 -0.545 -5.643 1.830 1.00 34.23 H new ATOM 0 HH12 ARG A 76 -2.268 -6.002 1.984 1.00 34.23 H new ATOM 0 HH21 ARG A 76 -2.535 -7.431 -1.228 1.00 33.02 H new ATOM 0 HH22 ARG A 76 -3.391 -7.010 0.260 1.00 33.02 H new ATOM 1113 N HIS A 77 5.832 -5.463 1.932 1.00 40.25 N ATOM 1114 CA HIS A 77 6.994 -5.139 2.752 1.00 35.44 C ATOM 1115 C HIS A 77 7.641 -3.838 2.289 1.00 51.10 C ATOM 1116 O HIS A 77 7.931 -2.955 3.096 1.00 11.13 O ATOM 1117 CB HIS A 77 8.014 -6.277 2.701 1.00 51.15 C ATOM 1118 CG HIS A 77 8.997 -6.251 3.830 1.00 64.22 C ATOM 1119 ND1 HIS A 77 9.193 -7.318 4.681 1.00 4.25 N ATOM 1120 CD2 HIS A 77 9.844 -5.280 4.244 1.00 23.23 C ATOM 1121 CE1 HIS A 77 10.117 -7.003 5.572 1.00 30.31 C ATOM 1122 NE2 HIS A 77 10.529 -5.772 5.328 1.00 34.15 N ATOM 0 H HIS A 77 5.997 -6.189 1.235 1.00 40.25 H new ATOM 0 HA HIS A 77 6.657 -5.009 3.780 1.00 35.44 H new ATOM 0 HB2 HIS A 77 7.484 -7.230 2.713 1.00 51.15 H new ATOM 0 HB3 HIS A 77 8.556 -6.226 1.757 1.00 51.15 H new ATOM 0 HD2 HIS A 77 9.960 -4.301 3.804 1.00 23.23 H new ATOM 0 HE1 HIS A 77 10.474 -7.643 6.365 1.00 30.31 H new ATOM 0 HE2 HIS A 77 11.240 -5.269 5.858 1.00 34.15 H new ATOM 1130 N VAL A 78 7.866 -3.726 0.984 1.00 74.34 N ATOM 1131 CA VAL A 78 8.478 -2.533 0.413 1.00 44.15 C ATOM 1132 C VAL A 78 7.817 -1.267 0.946 1.00 44.11 C ATOM 1133 O VAL A 78 6.675 -0.960 0.605 1.00 33.44 O ATOM 1134 CB VAL A 78 8.389 -2.537 -1.125 1.00 52.01 C ATOM 1135 CG1 VAL A 78 9.333 -3.575 -1.712 1.00 72.04 C ATOM 1136 CG2 VAL A 78 6.958 -2.791 -1.574 1.00 52.13 C ATOM 0 H VAL A 78 7.633 -4.448 0.302 1.00 74.34 H new ATOM 0 HA VAL A 78 9.527 -2.544 0.709 1.00 44.15 H new ATOM 0 HB VAL A 78 8.693 -1.557 -1.492 1.00 52.01 H new ATOM 0 HG11 VAL A 78 9.256 -3.563 -2.799 1.00 72.04 H new ATOM 0 HG12 VAL A 78 10.357 -3.343 -1.418 1.00 72.04 H new ATOM 0 HG13 VAL A 78 9.064 -4.564 -1.340 1.00 72.04 H new ATOM 0 HG21 VAL A 78 6.913 -2.791 -2.663 1.00 52.13 H new ATOM 0 HG22 VAL A 78 6.625 -3.758 -1.197 1.00 52.13 H new ATOM 0 HG23 VAL A 78 6.310 -2.007 -1.184 1.00 52.13 H new ATOM 1146 N ARG A 79 8.544 -0.535 1.784 1.00 50.43 N ATOM 1147 CA ARG A 79 8.028 0.699 2.365 1.00 32.32 C ATOM 1148 C ARG A 79 9.168 1.634 2.757 1.00 41.03 C ATOM 1149 O ARG A 79 10.318 1.221 2.911 1.00 74.21 O ATOM 1150 CB ARG A 79 7.165 0.388 3.590 1.00 43.31 C ATOM 1151 CG ARG A 79 5.676 0.569 3.347 1.00 12.05 C ATOM 1152 CD ARG A 79 5.024 1.376 4.460 1.00 62.04 C ATOM 1153 NE ARG A 79 4.469 0.519 5.504 1.00 54.51 N ATOM 1154 CZ ARG A 79 3.772 0.979 6.537 1.00 34.44 C ATOM 1155 NH1 ARG A 79 3.546 2.279 6.664 1.00 71.12 N ATOM 1156 NH2 ARG A 79 3.298 0.136 7.447 1.00 45.21 N ATOM 0 H ARG A 79 9.492 -0.775 2.076 1.00 50.43 H new ATOM 0 HA ARG A 79 7.415 1.197 1.613 1.00 32.32 H new ATOM 0 HB2 ARG A 79 7.351 -0.639 3.904 1.00 43.31 H new ATOM 0 HB3 ARG A 79 7.471 1.033 4.413 1.00 43.31 H new ATOM 0 HG2 ARG A 79 5.520 1.072 2.392 1.00 12.05 H new ATOM 0 HG3 ARG A 79 5.197 -0.407 3.275 1.00 12.05 H new ATOM 0 HD2 ARG A 79 5.760 2.050 4.898 1.00 62.04 H new ATOM 0 HD3 ARG A 79 4.232 1.997 4.041 1.00 62.04 H new ATOM 0 HE ARG A 79 4.625 -0.487 5.436 1.00 54.51 H new ATOM 0 HH11 ARG A 79 3.908 2.930 5.967 1.00 71.12 H new ATOM 0 HH12 ARG A 79 3.010 2.628 7.459 1.00 71.12 H new ATOM 0 HH21 ARG A 79 3.469 -0.865 7.353 1.00 45.21 H new ATOM 0 HH22 ARG A 79 2.763 0.490 8.240 1.00 45.21 H new ATOM 1170 N PRO A 80 8.845 2.925 2.921 1.00 53.40 N ATOM 1171 CA PRO A 80 9.828 3.946 3.296 1.00 13.03 C ATOM 1172 C PRO A 80 10.313 3.783 4.733 1.00 54.32 C ATOM 1173 O PRO A 80 9.605 4.126 5.680 1.00 55.04 O ATOM 1174 CB PRO A 80 9.055 5.258 3.138 1.00 31.12 C ATOM 1175 CG PRO A 80 7.625 4.878 3.312 1.00 12.40 C ATOM 1176 CD PRO A 80 7.494 3.488 2.754 1.00 44.45 C ATOM 0 HA PRO A 80 10.728 3.890 2.684 1.00 13.03 H new ATOM 0 HB2 PRO A 80 9.363 5.991 3.883 1.00 31.12 H new ATOM 0 HB3 PRO A 80 9.230 5.705 2.159 1.00 31.12 H new ATOM 0 HG2 PRO A 80 7.340 4.905 4.364 1.00 12.40 H new ATOM 0 HG3 PRO A 80 6.970 5.573 2.786 1.00 12.40 H new ATOM 0 HD2 PRO A 80 6.747 2.907 3.294 1.00 44.45 H new ATOM 0 HD3 PRO A 80 7.191 3.502 1.707 1.00 44.45 H new ATOM 1184 N SER A 81 11.524 3.259 4.888 1.00 60.32 N ATOM 1185 CA SER A 81 12.102 3.048 6.210 1.00 62.42 C ATOM 1186 C SER A 81 11.238 2.099 7.035 1.00 2.25 C ATOM 1187 O SER A 81 11.041 2.305 8.233 1.00 62.14 O ATOM 1188 CB SER A 81 12.257 4.382 6.941 1.00 15.43 C ATOM 1189 OG SER A 81 12.697 5.400 6.059 1.00 72.25 O ATOM 0 H SER A 81 12.124 2.973 4.115 1.00 60.32 H new ATOM 0 HA SER A 81 13.086 2.597 6.082 1.00 62.42 H new ATOM 0 HB2 SER A 81 11.304 4.669 7.386 1.00 15.43 H new ATOM 0 HB3 SER A 81 12.970 4.272 7.758 1.00 15.43 H new ATOM 0 HG SER A 81 12.786 6.243 6.551 1.00 72.25 H new ATOM 1195 N ALA A 82 10.725 1.060 6.386 1.00 60.51 N ATOM 1196 CA ALA A 82 9.884 0.078 7.059 1.00 72.30 C ATOM 1197 C ALA A 82 10.723 -1.045 7.659 1.00 61.21 C ATOM 1198 O ALA A 82 11.102 -1.988 6.965 1.00 65.33 O ATOM 1199 CB ALA A 82 8.856 -0.489 6.091 1.00 54.41 C ATOM 0 H ALA A 82 10.877 0.876 5.394 1.00 60.51 H new ATOM 0 HA ALA A 82 9.362 0.581 7.873 1.00 72.30 H new ATOM 0 HB1 ALA A 82 8.235 -1.221 6.607 1.00 54.41 H new ATOM 0 HB2 ALA A 82 8.228 0.318 5.713 1.00 54.41 H new ATOM 0 HB3 ALA A 82 9.368 -0.971 5.258 1.00 54.41 H new ATOM 1205 N SER A 83 11.010 -0.937 8.952 1.00 23.12 N ATOM 1206 CA SER A 83 11.809 -1.942 9.644 1.00 0.34 C ATOM 1207 C SER A 83 10.919 -3.031 10.234 1.00 20.52 C ATOM 1208 O SER A 83 10.127 -2.777 11.142 1.00 31.21 O ATOM 1209 CB SER A 83 12.638 -1.290 10.752 1.00 4.43 C ATOM 1210 OG SER A 83 13.451 -0.250 10.236 1.00 12.53 O ATOM 0 H SER A 83 10.701 -0.164 9.542 1.00 23.12 H new ATOM 0 HA SER A 83 12.481 -2.400 8.918 1.00 0.34 H new ATOM 0 HB2 SER A 83 11.975 -0.891 11.519 1.00 4.43 H new ATOM 0 HB3 SER A 83 13.265 -2.042 11.232 1.00 4.43 H new ATOM 0 HG SER A 83 13.970 0.152 10.964 1.00 12.53 H new ATOM 1216 N ILE A 84 11.056 -4.245 9.711 1.00 33.34 N ATOM 1217 CA ILE A 84 10.265 -5.374 10.186 1.00 24.41 C ATOM 1218 C ILE A 84 11.137 -6.610 10.387 1.00 52.42 C ATOM 1219 O ILE A 84 11.949 -6.972 9.535 1.00 1.25 O ATOM 1220 CB ILE A 84 9.127 -5.717 9.206 1.00 3.55 C ATOM 1221 CG1 ILE A 84 8.240 -4.492 8.973 1.00 4.23 C ATOM 1222 CG2 ILE A 84 8.304 -6.880 9.737 1.00 33.41 C ATOM 1223 CD1 ILE A 84 7.257 -4.666 7.838 1.00 55.35 C ATOM 0 H ILE A 84 11.707 -4.472 8.959 1.00 33.34 H new ATOM 0 HA ILE A 84 9.833 -5.077 11.142 1.00 24.41 H new ATOM 0 HB ILE A 84 9.564 -6.013 8.252 1.00 3.55 H new ATOM 0 HG12 ILE A 84 7.691 -4.272 9.888 1.00 4.23 H new ATOM 0 HG13 ILE A 84 8.873 -3.629 8.766 1.00 4.23 H new ATOM 0 HG21 ILE A 84 7.504 -7.111 9.034 1.00 33.41 H new ATOM 0 HG22 ILE A 84 8.944 -7.754 9.857 1.00 33.41 H new ATOM 0 HG23 ILE A 84 7.873 -6.610 10.701 1.00 33.41 H new ATOM 0 HD11 ILE A 84 6.662 -3.759 7.730 1.00 55.35 H new ATOM 0 HD12 ILE A 84 7.800 -4.856 6.912 1.00 55.35 H new ATOM 0 HD13 ILE A 84 6.599 -5.508 8.052 1.00 55.35 H new ATOM 1235 N PRO A 85 10.965 -7.274 11.539 1.00 75.40 N ATOM 1236 CA PRO A 85 11.725 -8.481 11.878 1.00 74.11 C ATOM 1237 C PRO A 85 11.330 -9.676 11.016 1.00 4.31 C ATOM 1238 O PRO A 85 10.167 -10.076 10.988 1.00 73.44 O ATOM 1239 CB PRO A 85 11.356 -8.733 13.342 1.00 73.10 C ATOM 1240 CG PRO A 85 10.020 -8.095 13.511 1.00 3.15 C ATOM 1241 CD PRO A 85 10.014 -6.899 12.599 1.00 31.53 C ATOM 0 HA PRO A 85 12.794 -8.350 11.710 1.00 74.11 H new ATOM 0 HB2 PRO A 85 11.316 -9.800 13.562 1.00 73.10 H new ATOM 0 HB3 PRO A 85 12.092 -8.296 14.017 1.00 73.10 H new ATOM 0 HG2 PRO A 85 9.221 -8.789 13.250 1.00 3.15 H new ATOM 0 HG3 PRO A 85 9.858 -7.797 14.547 1.00 3.15 H new ATOM 0 HD2 PRO A 85 9.020 -6.705 12.197 1.00 31.53 H new ATOM 0 HD3 PRO A 85 10.329 -5.995 13.120 1.00 31.53 H new ATOM 1249 N VAL A 86 12.307 -10.242 10.314 1.00 4.44 N ATOM 1250 CA VAL A 86 12.062 -11.392 9.453 1.00 44.13 C ATOM 1251 C VAL A 86 12.797 -12.627 9.962 1.00 10.35 C ATOM 1252 O VAL A 86 13.900 -12.528 10.500 1.00 62.52 O ATOM 1253 CB VAL A 86 12.499 -11.110 8.003 1.00 64.22 C ATOM 1254 CG1 VAL A 86 12.287 -12.340 7.133 1.00 44.43 C ATOM 1255 CG2 VAL A 86 11.745 -9.914 7.442 1.00 4.25 C ATOM 0 H VAL A 86 13.276 -9.922 10.325 1.00 4.44 H new ATOM 0 HA VAL A 86 10.988 -11.578 9.472 1.00 44.13 H new ATOM 0 HB VAL A 86 13.563 -10.872 8.002 1.00 64.22 H new ATOM 0 HG11 VAL A 86 12.601 -12.122 6.112 1.00 44.43 H new ATOM 0 HG12 VAL A 86 12.876 -13.169 7.525 1.00 44.43 H new ATOM 0 HG13 VAL A 86 11.231 -12.611 7.138 1.00 44.43 H new ATOM 0 HG21 VAL A 86 12.066 -9.729 6.417 1.00 4.25 H new ATOM 0 HG22 VAL A 86 10.675 -10.120 7.455 1.00 4.25 H new ATOM 0 HG23 VAL A 86 11.953 -9.034 8.051 1.00 4.25 H new ATOM 1265 N VAL A 87 12.178 -13.790 9.790 1.00 73.20 N ATOM 1266 CA VAL A 87 12.773 -15.046 10.231 1.00 0.10 C ATOM 1267 C VAL A 87 13.630 -15.664 9.132 1.00 3.40 C ATOM 1268 O VAL A 87 13.162 -15.885 8.015 1.00 31.42 O ATOM 1269 CB VAL A 87 11.694 -16.060 10.656 1.00 2.33 C ATOM 1270 CG1 VAL A 87 12.332 -17.378 11.067 1.00 63.13 C ATOM 1271 CG2 VAL A 87 10.847 -15.493 11.786 1.00 62.41 C ATOM 0 H VAL A 87 11.264 -13.889 9.348 1.00 73.20 H new ATOM 0 HA VAL A 87 13.401 -14.813 11.091 1.00 0.10 H new ATOM 0 HB VAL A 87 11.042 -16.250 9.803 1.00 2.33 H new ATOM 0 HG11 VAL A 87 11.554 -18.082 11.364 1.00 63.13 H new ATOM 0 HG12 VAL A 87 12.892 -17.789 10.227 1.00 63.13 H new ATOM 0 HG13 VAL A 87 13.008 -17.209 11.905 1.00 63.13 H new ATOM 0 HG21 VAL A 87 10.090 -16.222 12.074 1.00 62.41 H new ATOM 0 HG22 VAL A 87 11.484 -15.273 12.643 1.00 62.41 H new ATOM 0 HG23 VAL A 87 10.360 -14.577 11.451 1.00 62.41 H new ATOM 1281 N PHE A 88 14.889 -15.940 9.456 1.00 1.11 N ATOM 1282 CA PHE A 88 15.813 -16.532 8.496 1.00 23.21 C ATOM 1283 C PHE A 88 16.271 -17.912 8.961 1.00 14.42 C ATOM 1284 O PHE A 88 16.309 -18.194 10.159 1.00 41.52 O ATOM 1285 CB PHE A 88 17.026 -15.621 8.295 1.00 21.30 C ATOM 1286 CG PHE A 88 16.682 -14.290 7.691 1.00 2.32 C ATOM 1287 CD1 PHE A 88 16.789 -14.085 6.325 1.00 31.30 C ATOM 1288 CD2 PHE A 88 16.253 -13.242 8.490 1.00 33.20 C ATOM 1289 CE1 PHE A 88 16.473 -12.861 5.766 1.00 31.30 C ATOM 1290 CE2 PHE A 88 15.935 -12.016 7.937 1.00 71.23 C ATOM 1291 CZ PHE A 88 16.046 -11.825 6.573 1.00 23.13 C ATOM 0 H PHE A 88 15.293 -15.763 10.376 1.00 1.11 H new ATOM 0 HA PHE A 88 15.289 -16.643 7.547 1.00 23.21 H new ATOM 0 HB2 PHE A 88 17.513 -15.460 9.257 1.00 21.30 H new ATOM 0 HB3 PHE A 88 17.748 -16.127 7.653 1.00 21.30 H new ATOM 0 HD1 PHE A 88 17.123 -14.891 5.689 1.00 31.30 H new ATOM 0 HD2 PHE A 88 16.166 -13.385 9.557 1.00 33.20 H new ATOM 0 HE1 PHE A 88 16.560 -12.715 4.699 1.00 31.30 H new ATOM 0 HE2 PHE A 88 15.600 -11.208 8.570 1.00 71.23 H new ATOM 0 HZ PHE A 88 15.799 -10.867 6.139 1.00 23.13 H new ATOM 1301 N SER A 89 16.616 -18.768 8.005 1.00 51.42 N ATOM 1302 CA SER A 89 17.067 -20.119 8.315 1.00 75.31 C ATOM 1303 C SER A 89 18.312 -20.475 7.509 1.00 71.23 C ATOM 1304 O SER A 89 18.409 -20.158 6.323 1.00 75.50 O ATOM 1305 CB SER A 89 15.954 -21.129 8.028 1.00 74.10 C ATOM 1306 OG SER A 89 15.211 -21.416 9.200 1.00 15.11 O ATOM 0 H SER A 89 16.592 -18.550 7.009 1.00 51.42 H new ATOM 0 HA SER A 89 17.319 -20.157 9.375 1.00 75.31 H new ATOM 0 HB2 SER A 89 15.289 -20.734 7.260 1.00 74.10 H new ATOM 0 HB3 SER A 89 16.386 -22.049 7.633 1.00 74.10 H new ATOM 0 HG SER A 89 15.826 -21.576 9.946 1.00 15.11 H new ATOM 1312 N ARG A 90 19.263 -21.136 8.161 1.00 12.33 N ATOM 1313 CA ARG A 90 20.503 -21.534 7.507 1.00 61.13 C ATOM 1314 C ARG A 90 20.740 -23.034 7.657 1.00 33.02 C ATOM 1315 O ARG A 90 21.213 -23.497 8.695 1.00 10.23 O ATOM 1316 CB ARG A 90 21.685 -20.759 8.092 1.00 62.22 C ATOM 1317 CG ARG A 90 22.208 -19.663 7.177 1.00 33.43 C ATOM 1318 CD ARG A 90 23.649 -19.304 7.505 1.00 74.41 C ATOM 1319 NE ARG A 90 23.742 -18.420 8.663 1.00 45.50 N ATOM 1320 CZ ARG A 90 24.801 -17.661 8.925 1.00 64.53 C ATOM 1321 NH1 ARG A 90 25.851 -17.680 8.115 1.00 72.24 N ATOM 1322 NH2 ARG A 90 24.812 -16.882 9.999 1.00 72.14 N ATOM 0 H ARG A 90 19.198 -21.407 9.142 1.00 12.33 H new ATOM 0 HA ARG A 90 20.415 -21.302 6.446 1.00 61.13 H new ATOM 0 HB2 ARG A 90 21.384 -20.315 9.041 1.00 62.22 H new ATOM 0 HB3 ARG A 90 22.494 -21.456 8.309 1.00 62.22 H new ATOM 0 HG2 ARG A 90 22.141 -19.991 6.140 1.00 33.43 H new ATOM 0 HG3 ARG A 90 21.580 -18.777 7.273 1.00 33.43 H new ATOM 0 HD2 ARG A 90 24.215 -20.215 7.698 1.00 74.41 H new ATOM 0 HD3 ARG A 90 24.108 -18.821 6.642 1.00 74.41 H new ATOM 0 HE ARG A 90 22.951 -18.383 9.306 1.00 45.50 H new ATOM 0 HH11 ARG A 90 25.847 -18.278 7.289 1.00 72.24 H new ATOM 0 HH12 ARG A 90 26.663 -17.097 8.318 1.00 72.24 H new ATOM 0 HH21 ARG A 90 24.007 -16.865 10.625 1.00 72.14 H new ATOM 0 HH22 ARG A 90 25.626 -16.300 10.199 1.00 72.14 H new ATOM 1336 N ASP A 91 20.407 -23.788 6.615 1.00 11.41 N ATOM 1337 CA ASP A 91 20.583 -25.235 6.631 1.00 65.13 C ATOM 1338 C ASP A 91 19.752 -25.872 7.740 1.00 41.01 C ATOM 1339 O ASP A 91 20.128 -26.902 8.297 1.00 34.43 O ATOM 1340 CB ASP A 91 22.060 -25.588 6.816 1.00 21.12 C ATOM 1341 CG ASP A 91 22.982 -24.600 6.129 1.00 23.15 C ATOM 1342 OD1 ASP A 91 23.320 -24.825 4.948 1.00 30.32 O ATOM 1343 OD2 ASP A 91 23.366 -23.601 6.773 1.00 73.11 O ATOM 0 H ASP A 91 20.014 -23.421 5.749 1.00 11.41 H new ATOM 0 HA ASP A 91 20.240 -25.629 5.674 1.00 65.13 H new ATOM 0 HB2 ASP A 91 22.293 -25.618 7.880 1.00 21.12 H new ATOM 0 HB3 ASP A 91 22.244 -26.587 6.421 1.00 21.12 H new ATOM 1348 N GLY A 92 18.620 -25.250 8.056 1.00 42.11 N ATOM 1349 CA GLY A 92 17.754 -25.770 9.098 1.00 2.40 C ATOM 1350 C GLY A 92 17.917 -25.029 10.410 1.00 2.24 C ATOM 1351 O GLY A 92 17.130 -25.214 11.338 1.00 32.24 O ATOM 0 H GLY A 92 18.287 -24.396 7.609 1.00 42.11 H new ATOM 0 HA2 GLY A 92 16.716 -25.701 8.772 1.00 2.40 H new ATOM 0 HA3 GLY A 92 17.970 -26.827 9.252 1.00 2.40 H new ATOM 1355 N VAL A 93 18.943 -24.187 10.490 1.00 63.52 N ATOM 1356 CA VAL A 93 19.208 -23.416 11.699 1.00 72.34 C ATOM 1357 C VAL A 93 18.100 -22.400 11.956 1.00 64.53 C ATOM 1358 O VAL A 93 17.580 -21.784 11.026 1.00 60.45 O ATOM 1359 CB VAL A 93 20.556 -22.678 11.609 1.00 4.41 C ATOM 1360 CG1 VAL A 93 20.735 -21.746 12.798 1.00 11.12 C ATOM 1361 CG2 VAL A 93 21.704 -23.673 11.524 1.00 12.30 C ATOM 0 H VAL A 93 19.604 -24.022 9.731 1.00 63.52 H new ATOM 0 HA VAL A 93 19.245 -24.125 12.526 1.00 72.34 H new ATOM 0 HB VAL A 93 20.560 -22.075 10.701 1.00 4.41 H new ATOM 0 HG11 VAL A 93 21.693 -21.233 12.717 1.00 11.12 H new ATOM 0 HG12 VAL A 93 19.930 -21.011 12.809 1.00 11.12 H new ATOM 0 HG13 VAL A 93 20.710 -22.325 13.721 1.00 11.12 H new ATOM 0 HG21 VAL A 93 22.649 -23.134 11.461 1.00 12.30 H new ATOM 0 HG22 VAL A 93 21.705 -24.304 12.413 1.00 12.30 H new ATOM 0 HG23 VAL A 93 21.581 -24.295 10.637 1.00 12.30 H new ATOM 1371 N VAL A 94 17.744 -22.230 13.225 1.00 44.20 N ATOM 1372 CA VAL A 94 16.699 -21.287 13.606 1.00 65.12 C ATOM 1373 C VAL A 94 17.296 -20.013 14.193 1.00 42.12 C ATOM 1374 O VAL A 94 17.892 -20.033 15.269 1.00 22.43 O ATOM 1375 CB VAL A 94 15.731 -21.907 14.630 1.00 13.34 C ATOM 1376 CG1 VAL A 94 14.687 -20.888 15.063 1.00 44.10 C ATOM 1377 CG2 VAL A 94 15.068 -23.148 14.053 1.00 22.53 C ATOM 0 H VAL A 94 18.164 -22.733 14.007 1.00 44.20 H new ATOM 0 HA VAL A 94 16.148 -21.041 12.699 1.00 65.12 H new ATOM 0 HB VAL A 94 16.302 -22.204 15.510 1.00 13.34 H new ATOM 0 HG11 VAL A 94 14.012 -21.344 15.787 1.00 44.10 H new ATOM 0 HG12 VAL A 94 15.182 -20.031 15.519 1.00 44.10 H new ATOM 0 HG13 VAL A 94 14.118 -20.558 14.194 1.00 44.10 H new ATOM 0 HG21 VAL A 94 14.387 -23.573 14.791 1.00 22.53 H new ATOM 0 HG22 VAL A 94 14.510 -22.879 13.156 1.00 22.53 H new ATOM 0 HG23 VAL A 94 15.831 -23.883 13.798 1.00 22.53 H new ATOM 1387 N MET A 95 17.131 -18.905 13.478 1.00 41.20 N ATOM 1388 CA MET A 95 17.652 -17.620 13.929 1.00 3.25 C ATOM 1389 C MET A 95 16.708 -16.485 13.545 1.00 3.13 C ATOM 1390 O MET A 95 15.895 -16.624 12.632 1.00 41.23 O ATOM 1391 CB MET A 95 19.039 -17.370 13.333 1.00 53.41 C ATOM 1392 CG MET A 95 19.855 -16.344 14.103 1.00 65.44 C ATOM 1393 SD MET A 95 20.326 -16.922 15.745 1.00 54.12 S ATOM 1394 CE MET A 95 21.994 -16.283 15.864 1.00 45.54 C ATOM 0 H MET A 95 16.641 -18.871 12.584 1.00 41.20 H new ATOM 0 HA MET A 95 17.732 -17.650 15.016 1.00 3.25 H new ATOM 0 HB2 MET A 95 19.588 -18.311 13.304 1.00 53.41 H new ATOM 0 HB3 MET A 95 18.927 -17.034 12.302 1.00 53.41 H new ATOM 0 HG2 MET A 95 20.754 -16.101 13.536 1.00 65.44 H new ATOM 0 HG3 MET A 95 19.279 -15.424 14.197 1.00 65.44 H new ATOM 0 HE1 MET A 95 22.422 -16.559 16.828 1.00 45.54 H new ATOM 0 HE2 MET A 95 22.603 -16.703 15.063 1.00 45.54 H new ATOM 0 HE3 MET A 95 21.975 -15.197 15.774 1.00 45.54 H new ATOM 1404 N SER A 96 16.822 -15.363 14.249 1.00 52.23 N ATOM 1405 CA SER A 96 15.975 -14.205 13.984 1.00 63.54 C ATOM 1406 C SER A 96 16.817 -12.946 13.805 1.00 45.03 C ATOM 1407 O SER A 96 17.687 -12.646 14.622 1.00 32.14 O ATOM 1408 CB SER A 96 14.975 -14.006 15.124 1.00 25.34 C ATOM 1409 OG SER A 96 15.577 -13.336 16.219 1.00 61.34 O ATOM 0 H SER A 96 17.492 -15.231 15.007 1.00 52.23 H new ATOM 0 HA SER A 96 15.428 -14.390 13.059 1.00 63.54 H new ATOM 0 HB2 SER A 96 14.121 -13.431 14.767 1.00 25.34 H new ATOM 0 HB3 SER A 96 14.594 -14.973 15.451 1.00 25.34 H new ATOM 0 HG SER A 96 14.917 -13.219 16.934 1.00 61.34 H new ATOM 1415 N ALA A 97 16.552 -12.213 12.728 1.00 5.45 N ATOM 1416 CA ALA A 97 17.284 -10.985 12.442 1.00 54.41 C ATOM 1417 C ALA A 97 16.358 -9.915 11.872 1.00 41.00 C ATOM 1418 O ALA A 97 15.489 -10.205 11.049 1.00 14.14 O ATOM 1419 CB ALA A 97 18.427 -11.264 11.478 1.00 2.11 C ATOM 0 H ALA A 97 15.837 -12.448 12.040 1.00 5.45 H new ATOM 0 HA ALA A 97 17.697 -10.611 13.379 1.00 54.41 H new ATOM 0 HB1 ALA A 97 18.965 -10.338 11.273 1.00 2.11 H new ATOM 0 HB2 ALA A 97 19.109 -11.989 11.922 1.00 2.11 H new ATOM 0 HB3 ALA A 97 18.028 -11.665 10.546 1.00 2.11 H new ATOM 1425 N THR A 98 16.550 -8.676 12.315 1.00 74.13 N ATOM 1426 CA THR A 98 15.731 -7.563 11.850 1.00 20.42 C ATOM 1427 C THR A 98 16.285 -6.975 10.558 1.00 62.13 C ATOM 1428 O THR A 98 17.460 -6.615 10.482 1.00 24.34 O ATOM 1429 CB THR A 98 15.642 -6.450 12.911 1.00 63.00 C ATOM 1430 OG1 THR A 98 15.505 -7.026 14.215 1.00 41.51 O ATOM 1431 CG2 THR A 98 14.465 -5.529 12.631 1.00 15.32 C ATOM 0 H THR A 98 17.265 -8.418 12.995 1.00 74.13 H new ATOM 0 HA THR A 98 14.733 -7.960 11.666 1.00 20.42 H new ATOM 0 HB THR A 98 16.560 -5.863 12.869 1.00 63.00 H new ATOM 0 HG1 THR A 98 15.451 -6.312 14.884 1.00 41.51 H new ATOM 0 HG21 THR A 98 14.422 -4.751 13.393 1.00 15.32 H new ATOM 0 HG22 THR A 98 14.588 -5.070 11.650 1.00 15.32 H new ATOM 0 HG23 THR A 98 13.540 -6.105 12.649 1.00 15.32 H new ATOM 1439 N ILE A 99 15.432 -6.880 9.543 1.00 3.53 N ATOM 1440 CA ILE A 99 15.837 -6.333 8.254 1.00 4.23 C ATOM 1441 C ILE A 99 15.099 -5.033 7.952 1.00 70.32 C ATOM 1442 O ILE A 99 13.869 -4.983 7.985 1.00 24.10 O ATOM 1443 CB ILE A 99 15.581 -7.334 7.112 1.00 14.23 C ATOM 1444 CG1 ILE A 99 14.092 -7.678 7.032 1.00 51.24 C ATOM 1445 CG2 ILE A 99 16.411 -8.593 7.315 1.00 55.30 C ATOM 1446 CD1 ILE A 99 13.370 -6.975 5.904 1.00 53.24 C ATOM 0 H ILE A 99 14.457 -7.175 9.589 1.00 3.53 H new ATOM 0 HA ILE A 99 16.907 -6.134 8.318 1.00 4.23 H new ATOM 0 HB ILE A 99 15.880 -6.874 6.170 1.00 14.23 H new ATOM 0 HG12 ILE A 99 13.982 -8.755 6.907 1.00 51.24 H new ATOM 0 HG13 ILE A 99 13.615 -7.416 7.977 1.00 51.24 H new ATOM 0 HG21 ILE A 99 16.219 -9.291 6.500 1.00 55.30 H new ATOM 0 HG22 ILE A 99 17.469 -8.333 7.328 1.00 55.30 H new ATOM 0 HG23 ILE A 99 16.140 -9.059 8.263 1.00 55.30 H new ATOM 0 HD11 ILE A 99 12.319 -7.266 5.907 1.00 53.24 H new ATOM 0 HD12 ILE A 99 13.449 -5.896 6.038 1.00 53.24 H new ATOM 0 HD13 ILE A 99 13.821 -7.256 4.952 1.00 53.24 H new ATOM 1458 N VAL A 100 15.858 -3.983 7.655 1.00 71.12 N ATOM 1459 CA VAL A 100 15.276 -2.683 7.343 1.00 71.11 C ATOM 1460 C VAL A 100 15.271 -2.430 5.840 1.00 41.53 C ATOM 1461 O VAL A 100 16.324 -2.269 5.223 1.00 63.03 O ATOM 1462 CB VAL A 100 16.041 -1.544 8.042 1.00 14.42 C ATOM 1463 CG1 VAL A 100 15.324 -0.217 7.841 1.00 34.25 C ATOM 1464 CG2 VAL A 100 16.212 -1.848 9.523 1.00 40.31 C ATOM 0 H VAL A 100 16.877 -4.007 7.624 1.00 71.12 H new ATOM 0 HA VAL A 100 14.249 -2.699 7.709 1.00 71.11 H new ATOM 0 HB VAL A 100 17.031 -1.466 7.594 1.00 14.42 H new ATOM 0 HG11 VAL A 100 15.879 0.576 8.342 1.00 34.25 H new ATOM 0 HG12 VAL A 100 15.258 0.003 6.776 1.00 34.25 H new ATOM 0 HG13 VAL A 100 14.320 -0.278 8.261 1.00 34.25 H new ATOM 0 HG21 VAL A 100 16.755 -1.033 10.001 1.00 40.31 H new ATOM 0 HG22 VAL A 100 15.232 -1.954 9.988 1.00 40.31 H new ATOM 0 HG23 VAL A 100 16.772 -2.776 9.642 1.00 40.31 H new ATOM 1474 N VAL A 101 14.078 -2.394 5.255 1.00 71.12 N ATOM 1475 CA VAL A 101 13.935 -2.158 3.823 1.00 31.32 C ATOM 1476 C VAL A 101 13.508 -0.722 3.543 1.00 40.22 C ATOM 1477 O VAL A 101 12.344 -0.364 3.715 1.00 33.25 O ATOM 1478 CB VAL A 101 12.908 -3.119 3.196 1.00 74.21 C ATOM 1479 CG1 VAL A 101 12.800 -2.882 1.697 1.00 23.42 C ATOM 1480 CG2 VAL A 101 13.281 -4.564 3.490 1.00 23.22 C ATOM 0 H VAL A 101 13.196 -2.525 5.751 1.00 71.12 H new ATOM 0 HA VAL A 101 14.911 -2.338 3.373 1.00 31.32 H new ATOM 0 HB VAL A 101 11.933 -2.922 3.642 1.00 74.21 H new ATOM 0 HG11 VAL A 101 12.070 -3.570 1.272 1.00 23.42 H new ATOM 0 HG12 VAL A 101 12.482 -1.856 1.513 1.00 23.42 H new ATOM 0 HG13 VAL A 101 13.771 -3.050 1.231 1.00 23.42 H new ATOM 0 HG21 VAL A 101 12.544 -5.229 3.039 1.00 23.22 H new ATOM 0 HG22 VAL A 101 14.265 -4.778 3.074 1.00 23.22 H new ATOM 0 HG23 VAL A 101 13.301 -4.722 4.568 1.00 23.22 H new ATOM 1490 N GLY A 102 14.460 0.099 3.108 1.00 32.31 N ATOM 1491 CA GLY A 102 14.163 1.488 2.810 1.00 33.51 C ATOM 1492 C GLY A 102 14.389 1.829 1.351 1.00 61.55 C ATOM 1493 O GLY A 102 15.527 1.864 0.885 1.00 64.03 O ATOM 0 H GLY A 102 15.431 -0.173 2.957 1.00 32.31 H new ATOM 0 HA2 GLY A 102 13.126 1.699 3.073 1.00 33.51 H new ATOM 0 HA3 GLY A 102 14.787 2.131 3.431 1.00 33.51 H new ATOM 1497 N GLU A 103 13.302 2.078 0.627 1.00 0.42 N ATOM 1498 CA GLU A 103 13.388 2.416 -0.789 1.00 24.52 C ATOM 1499 C GLU A 103 13.557 3.920 -0.981 1.00 24.04 C ATOM 1500 O GLU A 103 13.920 4.383 -2.063 1.00 24.50 O ATOM 1501 CB GLU A 103 12.138 1.933 -1.528 1.00 3.42 C ATOM 1502 CG GLU A 103 11.726 0.516 -1.166 1.00 42.33 C ATOM 1503 CD GLU A 103 10.836 0.463 0.060 1.00 74.41 C ATOM 1504 OE1 GLU A 103 9.821 1.190 0.087 1.00 34.13 O ATOM 1505 OE2 GLU A 103 11.153 -0.306 0.991 1.00 3.35 O ATOM 0 H GLU A 103 12.352 2.052 0.998 1.00 0.42 H new ATOM 0 HA GLU A 103 14.263 1.915 -1.203 1.00 24.52 H new ATOM 0 HB2 GLU A 103 11.312 2.610 -1.308 1.00 3.42 H new ATOM 0 HB3 GLU A 103 12.317 1.987 -2.602 1.00 3.42 H new ATOM 0 HG2 GLU A 103 11.203 0.067 -2.010 1.00 42.33 H new ATOM 0 HG3 GLU A 103 12.619 -0.084 -0.989 1.00 42.33 H new