USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 612 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 35 HIS : no HE2:sc= 0.314 K(o=-0.25,f=-2.9) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.561 K(o=-0.25,f=-1.6) USER MOD Set 2.1: A 65 ASN : amide:sc= 0.645 K(o=1.7,f=-4.9!) USER MOD Set 2.2: A 67 HIS : no HE2:sc= 1.1 K(o=1.7,f=-9!) USER MOD Set 3.1: A 25 THR OG1 : rot -120:sc= 1.06 USER MOD Set 3.2: A 39 LYS NZ :NH3+ 177:sc= 2.23 (180deg=0.9) USER MOD Set 4.1: A 5 THR OG1 : rot 38:sc= 0.539 USER MOD Set 4.2: A 28 SER OG : rot 168:sc= 0.551 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -175:sc= 1.25 USER MOD Single : A 8 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.88) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 10 GLN : amide:sc=-0.00699 X(o=-0.007,f=-0.0092) USER MOD Single : A 17 ASN : amide:sc= 0.786 K(o=0.79,f=-0.11) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 34 ASN : amide:sc= 0.675 K(o=0.68,f=-7.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 88:sc= 1.18 USER MOD Single : A 42 SER OG : rot 180:sc= -0.1 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.732 K(o=-0.73,f=-2.6!) USER MOD Single : A 46 GLN : amide:sc= -0.61 K(o=-0.61,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 2.39 (180deg=2.21) USER MOD Single : A 49 SER OG : rot 180:sc=0.000214 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.0024) USER MOD Single : A 54 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 56 MET CE :methyl -148:sc= -0.268 (180deg=-1.09) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00391) USER MOD Single : A 72 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.38) USER MOD Single : A 73 THR OG1 : rot 34:sc= 0.191 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -0.932 -3.439 -15.678 1.00 72.44 N ATOM 2 CA PRO A 1 -0.732 -2.674 -14.429 1.00 63.23 C ATOM 3 C PRO A 1 -1.988 -2.715 -13.571 1.00 50.34 C ATOM 4 O PRO A 1 -3.039 -3.172 -14.020 1.00 54.34 O ATOM 5 CB PRO A 1 -0.388 -1.236 -14.780 1.00 35.02 C ATOM 6 CG PRO A 1 -0.770 -1.130 -16.209 1.00 24.21 C ATOM 7 CD PRO A 1 -0.620 -2.517 -16.790 1.00 63.42 C ATOM 0 H2 PRO A 1 -1.892 -3.778 -15.746 1.00 72.44 H new ATOM 0 H3 PRO A 1 -0.324 -4.257 -15.704 1.00 72.44 H new ATOM 0 HA PRO A 1 0.084 -3.120 -13.860 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -0.941 -0.528 -14.163 1.00 35.02 H new ATOM 0 HB3 PRO A 1 0.672 -1.028 -14.631 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -1.795 -0.773 -16.312 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -0.131 -0.418 -16.731 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -1.299 -2.668 -17.629 1.00 63.42 H new ATOM 0 HD3 PRO A 1 0.391 -2.680 -17.165 1.00 63.42 H new ATOM 17 N GLY A 2 -1.872 -2.248 -12.338 1.00 35.53 N ATOM 18 CA GLY A 2 -3.018 -2.187 -11.462 1.00 24.52 C ATOM 19 C GLY A 2 -2.744 -2.792 -10.100 1.00 1.40 C ATOM 20 O GLY A 2 -2.951 -3.990 -9.894 1.00 22.44 O ATOM 0 H GLY A 2 -1.001 -1.910 -11.929 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -3.322 -1.147 -11.339 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -3.854 -2.710 -11.926 1.00 24.52 H new ATOM 24 N SER A 3 -2.262 -1.970 -9.177 1.00 10.13 N ATOM 25 CA SER A 3 -2.053 -2.406 -7.805 1.00 12.40 C ATOM 26 C SER A 3 -3.395 -2.801 -7.194 1.00 50.22 C ATOM 27 O SER A 3 -3.580 -3.937 -6.751 1.00 24.11 O ATOM 28 CB SER A 3 -1.388 -1.297 -6.987 1.00 44.31 C ATOM 29 OG SER A 3 -1.059 -1.746 -5.683 1.00 54.01 O ATOM 0 H SER A 3 -2.009 -0.998 -9.355 1.00 10.13 H new ATOM 0 HA SER A 3 -1.389 -3.270 -7.796 1.00 12.40 H new ATOM 0 HB2 SER A 3 -0.486 -0.958 -7.496 1.00 44.31 H new ATOM 0 HB3 SER A 3 -2.058 -0.440 -6.921 1.00 44.31 H new ATOM 0 HG SER A 3 -0.634 -1.018 -5.184 1.00 54.01 H new ATOM 35 N MET A 4 -4.334 -1.865 -7.191 1.00 64.30 N ATOM 36 CA MET A 4 -5.706 -2.170 -6.815 1.00 73.21 C ATOM 37 C MET A 4 -6.477 -2.601 -8.050 1.00 42.35 C ATOM 38 O MET A 4 -6.569 -1.851 -9.024 1.00 54.24 O ATOM 39 CB MET A 4 -6.391 -0.963 -6.164 1.00 72.52 C ATOM 40 CG MET A 4 -5.939 -0.691 -4.741 1.00 21.33 C ATOM 41 SD MET A 4 -6.803 0.706 -3.999 1.00 14.12 S ATOM 42 CE MET A 4 -6.117 0.677 -2.343 1.00 12.30 C ATOM 0 H MET A 4 -4.171 -0.891 -7.444 1.00 64.30 H new ATOM 0 HA MET A 4 -5.693 -2.977 -6.083 1.00 73.21 H new ATOM 0 HB2 MET A 4 -6.199 -0.078 -6.771 1.00 72.52 H new ATOM 0 HB3 MET A 4 -7.469 -1.124 -6.168 1.00 72.52 H new ATOM 0 HG2 MET A 4 -6.105 -1.581 -4.134 1.00 21.33 H new ATOM 0 HG3 MET A 4 -4.867 -0.496 -4.735 1.00 21.33 H new ATOM 0 HE1 MET A 4 -6.553 1.484 -1.755 1.00 12.30 H new ATOM 0 HE2 MET A 4 -6.345 -0.279 -1.872 1.00 12.30 H new ATOM 0 HE3 MET A 4 -5.036 0.808 -2.395 1.00 12.30 H new ATOM 52 N THR A 5 -7.007 -3.812 -8.020 1.00 5.32 N ATOM 53 CA THR A 5 -7.741 -4.345 -9.152 1.00 22.53 C ATOM 54 C THR A 5 -9.075 -3.628 -9.322 1.00 65.22 C ATOM 55 O THR A 5 -9.776 -3.358 -8.345 1.00 62.04 O ATOM 56 CB THR A 5 -7.974 -5.857 -8.996 1.00 42.10 C ATOM 57 OG1 THR A 5 -8.439 -6.146 -7.668 1.00 71.41 O ATOM 58 CG2 THR A 5 -6.692 -6.630 -9.272 1.00 53.01 C ATOM 0 H THR A 5 -6.942 -4.444 -7.222 1.00 5.32 H new ATOM 0 HA THR A 5 -7.138 -4.177 -10.044 1.00 22.53 H new ATOM 0 HB THR A 5 -8.729 -6.166 -9.719 1.00 42.10 H new ATOM 0 HG1 THR A 5 -9.044 -5.434 -7.371 1.00 71.41 H new ATOM 0 HG21 THR A 5 -6.879 -7.698 -9.156 1.00 53.01 H new ATOM 0 HG22 THR A 5 -6.358 -6.428 -10.290 1.00 53.01 H new ATOM 0 HG23 THR A 5 -5.920 -6.318 -8.568 1.00 53.01 H new ATOM 66 N VAL A 6 -9.413 -3.321 -10.563 1.00 4.20 N ATOM 67 CA VAL A 6 -10.652 -2.632 -10.868 1.00 13.52 C ATOM 68 C VAL A 6 -11.779 -3.652 -11.027 1.00 40.55 C ATOM 69 O VAL A 6 -11.560 -4.751 -11.536 1.00 4.41 O ATOM 70 CB VAL A 6 -10.508 -1.776 -12.154 1.00 75.41 C ATOM 71 CG1 VAL A 6 -10.170 -2.643 -13.359 1.00 44.14 C ATOM 72 CG2 VAL A 6 -11.763 -0.953 -12.411 1.00 12.15 C ATOM 0 H VAL A 6 -8.842 -3.540 -11.379 1.00 4.20 H new ATOM 0 HA VAL A 6 -10.891 -1.959 -10.045 1.00 13.52 H new ATOM 0 HB VAL A 6 -9.680 -1.084 -11.997 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -10.076 -2.014 -14.244 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -9.229 -3.163 -13.181 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -10.964 -3.374 -13.516 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -11.632 -0.364 -13.319 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -12.617 -1.620 -12.531 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -11.940 -0.286 -11.567 1.00 12.15 H new ATOM 82 N THR A 7 -12.965 -3.306 -10.552 1.00 31.41 N ATOM 83 CA THR A 7 -14.102 -4.203 -10.640 1.00 35.31 C ATOM 84 C THR A 7 -14.773 -4.073 -12.007 1.00 31.42 C ATOM 85 O THR A 7 -14.619 -3.056 -12.690 1.00 72.04 O ATOM 86 CB THR A 7 -15.123 -3.916 -9.513 1.00 54.51 C ATOM 87 OG1 THR A 7 -16.201 -4.859 -9.559 1.00 5.41 O ATOM 88 CG2 THR A 7 -15.680 -2.500 -9.615 1.00 10.33 C ATOM 0 H THR A 7 -13.163 -2.412 -10.103 1.00 31.41 H new ATOM 0 HA THR A 7 -13.740 -5.224 -10.519 1.00 35.31 H new ATOM 0 HB THR A 7 -14.597 -4.014 -8.563 1.00 54.51 H new ATOM 0 HG1 THR A 7 -16.875 -4.619 -8.889 1.00 5.41 H new ATOM 0 HG21 THR A 7 -16.394 -2.331 -8.809 1.00 10.33 H new ATOM 0 HG22 THR A 7 -14.864 -1.781 -9.534 1.00 10.33 H new ATOM 0 HG23 THR A 7 -16.180 -2.374 -10.575 1.00 10.33 H new ATOM 96 N GLN A 8 -15.520 -5.095 -12.397 1.00 3.23 N ATOM 97 CA GLN A 8 -16.182 -5.102 -13.688 1.00 50.02 C ATOM 98 C GLN A 8 -17.610 -4.611 -13.535 1.00 1.14 C ATOM 99 O GLN A 8 -18.448 -5.286 -12.930 1.00 72.35 O ATOM 100 CB GLN A 8 -16.144 -6.498 -14.309 1.00 43.14 C ATOM 101 CG GLN A 8 -14.731 -6.994 -14.569 1.00 33.25 C ATOM 102 CD GLN A 8 -14.699 -8.251 -15.411 1.00 53.30 C ATOM 103 OE1 GLN A 8 -14.717 -9.368 -14.894 1.00 54.41 O ATOM 104 NE2 GLN A 8 -14.657 -8.075 -16.720 1.00 54.35 N ATOM 0 H GLN A 8 -15.682 -5.931 -11.835 1.00 3.23 H new ATOM 0 HA GLN A 8 -15.652 -4.428 -14.361 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -16.653 -7.198 -13.647 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -16.698 -6.487 -15.248 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -14.162 -6.211 -15.070 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.237 -7.187 -13.617 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -14.643 -7.132 -17.108 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -14.638 -8.883 -17.343 1.00 54.35 H new ATOM 113 N SER A 9 -17.870 -3.429 -14.089 1.00 52.14 N ATOM 114 CA SER A 9 -19.142 -2.740 -13.918 1.00 2.52 C ATOM 115 C SER A 9 -20.328 -3.636 -14.261 1.00 0.31 C ATOM 116 O SER A 9 -21.233 -3.799 -13.452 1.00 54.11 O ATOM 117 CB SER A 9 -19.165 -1.487 -14.794 1.00 33.54 C ATOM 118 OG SER A 9 -17.955 -0.757 -14.665 1.00 75.12 O ATOM 0 H SER A 9 -17.202 -2.923 -14.670 1.00 52.14 H new ATOM 0 HA SER A 9 -19.235 -2.464 -12.868 1.00 2.52 H new ATOM 0 HB2 SER A 9 -19.315 -1.770 -15.836 1.00 33.54 H new ATOM 0 HB3 SER A 9 -20.007 -0.856 -14.511 1.00 33.54 H new ATOM 0 HG SER A 9 -17.991 0.039 -15.235 1.00 75.12 H new ATOM 124 N GLN A 10 -20.299 -4.237 -15.445 1.00 65.43 N ATOM 125 CA GLN A 10 -21.423 -5.034 -15.937 1.00 50.30 C ATOM 126 C GLN A 10 -21.748 -6.193 -14.998 1.00 24.22 C ATOM 127 O GLN A 10 -22.901 -6.379 -14.602 1.00 13.03 O ATOM 128 CB GLN A 10 -21.109 -5.574 -17.333 1.00 3.51 C ATOM 129 CG GLN A 10 -20.755 -4.491 -18.337 1.00 31.21 C ATOM 130 CD GLN A 10 -21.907 -3.550 -18.623 1.00 30.13 C ATOM 131 OE1 GLN A 10 -22.080 -2.537 -17.947 1.00 43.14 O ATOM 132 NE2 GLN A 10 -22.699 -3.876 -19.630 1.00 21.05 N ATOM 0 H GLN A 10 -19.507 -4.189 -16.086 1.00 65.43 H new ATOM 0 HA GLN A 10 -22.296 -4.383 -15.981 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -20.280 -6.278 -17.263 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -21.971 -6.131 -17.701 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -19.909 -3.917 -17.960 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -20.434 -4.957 -19.268 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -22.520 -4.726 -20.165 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -23.489 -3.278 -19.872 1.00 21.05 H new ATOM 141 N LEU A 11 -20.725 -6.957 -14.636 1.00 1.21 N ATOM 142 CA LEU A 11 -20.911 -8.134 -13.797 1.00 12.41 C ATOM 143 C LEU A 11 -21.409 -7.742 -12.413 1.00 54.11 C ATOM 144 O LEU A 11 -22.355 -8.337 -11.897 1.00 71.13 O ATOM 145 CB LEU A 11 -19.606 -8.927 -13.686 1.00 53.43 C ATOM 146 CG LEU A 11 -19.107 -9.543 -14.995 1.00 4.24 C ATOM 147 CD1 LEU A 11 -17.815 -10.307 -14.761 1.00 55.21 C ATOM 148 CD2 LEU A 11 -20.169 -10.455 -15.595 1.00 61.15 C ATOM 0 H LEU A 11 -19.758 -6.783 -14.910 1.00 1.21 H new ATOM 0 HA LEU A 11 -21.665 -8.766 -14.266 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -18.831 -8.268 -13.294 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -19.745 -9.725 -12.957 1.00 53.43 H new ATOM 0 HG LEU A 11 -18.908 -8.739 -15.703 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -17.473 -10.739 -15.701 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -17.055 -9.627 -14.376 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -17.989 -11.103 -14.038 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -19.797 -10.884 -16.525 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -20.400 -11.256 -14.893 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -21.072 -9.878 -15.797 1.00 61.15 H new ATOM 160 N GLU A 12 -20.789 -6.730 -11.823 1.00 14.13 N ATOM 161 CA GLU A 12 -21.181 -6.288 -10.493 1.00 13.33 C ATOM 162 C GLU A 12 -22.578 -5.685 -10.529 1.00 23.45 C ATOM 163 O GLU A 12 -23.409 -5.969 -9.669 1.00 35.24 O ATOM 164 CB GLU A 12 -20.195 -5.263 -9.950 1.00 72.23 C ATOM 165 CG GLU A 12 -20.264 -5.108 -8.439 1.00 2.41 C ATOM 166 CD GLU A 12 -19.455 -3.939 -7.930 1.00 74.31 C ATOM 167 OE1 GLU A 12 -18.214 -3.963 -8.059 1.00 23.41 O ATOM 168 OE2 GLU A 12 -20.057 -2.986 -7.386 1.00 33.12 O ATOM 0 H GLU A 12 -20.020 -6.204 -12.239 1.00 14.13 H new ATOM 0 HA GLU A 12 -21.180 -7.156 -9.834 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -19.184 -5.556 -10.233 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -20.390 -4.298 -10.417 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -21.304 -4.981 -8.139 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -19.906 -6.024 -7.968 1.00 2.41 H new ATOM 175 N LEU A 13 -22.829 -4.860 -11.539 1.00 24.43 N ATOM 176 CA LEU A 13 -24.137 -4.246 -11.742 1.00 1.43 C ATOM 177 C LEU A 13 -25.214 -5.316 -11.849 1.00 31.21 C ATOM 178 O LEU A 13 -26.315 -5.158 -11.320 1.00 4.34 O ATOM 179 CB LEU A 13 -24.094 -3.363 -13.000 1.00 73.45 C ATOM 180 CG LEU A 13 -25.432 -2.826 -13.511 1.00 63.21 C ATOM 181 CD1 LEU A 13 -25.253 -1.425 -14.076 1.00 44.11 C ATOM 182 CD2 LEU A 13 -25.991 -3.747 -14.589 1.00 50.21 C ATOM 0 H LEU A 13 -22.134 -4.598 -12.238 1.00 24.43 H new ATOM 0 HA LEU A 13 -24.385 -3.618 -10.886 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -23.442 -2.513 -12.797 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -23.629 -3.937 -13.802 1.00 73.45 H new ATOM 0 HG LEU A 13 -26.133 -2.787 -12.677 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -26.212 -1.053 -14.437 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -24.877 -0.763 -13.296 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -24.541 -1.454 -14.901 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -26.944 -3.354 -14.945 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -25.288 -3.803 -15.420 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -26.142 -4.744 -14.174 1.00 50.21 H new ATOM 194 N LEU A 14 -24.879 -6.412 -12.512 1.00 72.01 N ATOM 195 CA LEU A 14 -25.807 -7.526 -12.657 1.00 3.52 C ATOM 196 C LEU A 14 -26.192 -8.073 -11.284 1.00 71.02 C ATOM 197 O LEU A 14 -27.376 -8.235 -10.976 1.00 70.32 O ATOM 198 CB LEU A 14 -25.181 -8.631 -13.512 1.00 33.20 C ATOM 199 CG LEU A 14 -26.092 -9.825 -13.806 1.00 40.12 C ATOM 200 CD1 LEU A 14 -27.321 -9.386 -14.586 1.00 54.01 C ATOM 201 CD2 LEU A 14 -25.335 -10.897 -14.568 1.00 11.21 C ATOM 0 H LEU A 14 -23.973 -6.555 -12.958 1.00 72.01 H new ATOM 0 HA LEU A 14 -26.707 -7.168 -13.156 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -24.861 -8.197 -14.459 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -24.285 -8.994 -13.008 1.00 33.20 H new ATOM 0 HG LEU A 14 -26.422 -10.244 -12.855 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -27.954 -10.251 -14.784 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -27.879 -8.653 -14.003 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -27.012 -8.939 -15.531 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -25.999 -11.738 -14.768 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -24.974 -10.487 -15.511 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -24.488 -11.237 -13.973 1.00 11.21 H new ATOM 213 N ILE A 15 -25.186 -8.326 -10.455 1.00 13.25 N ATOM 214 CA ILE A 15 -25.407 -8.855 -9.118 1.00 24.23 C ATOM 215 C ILE A 15 -26.124 -7.827 -8.240 1.00 61.32 C ATOM 216 O ILE A 15 -27.005 -8.181 -7.464 1.00 75.31 O ATOM 217 CB ILE A 15 -24.075 -9.271 -8.453 1.00 33.14 C ATOM 218 CG1 ILE A 15 -23.280 -10.190 -9.387 1.00 70.34 C ATOM 219 CG2 ILE A 15 -24.336 -9.966 -7.121 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.894 -10.524 -8.877 1.00 63.52 C ATOM 0 H ILE A 15 -24.205 -8.172 -10.689 1.00 13.25 H new ATOM 0 HA ILE A 15 -26.036 -9.740 -9.216 1.00 24.23 H new ATOM 0 HB ILE A 15 -23.488 -8.373 -8.263 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -23.837 -11.116 -9.532 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -23.193 -9.714 -10.364 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -23.387 -10.252 -6.668 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.867 -9.287 -6.454 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.941 -10.857 -7.288 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -21.392 -11.178 -9.590 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -21.319 -9.606 -8.759 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -21.972 -11.029 -7.914 1.00 63.52 H new ATOM 232 N ARG A 16 -25.758 -6.554 -8.387 1.00 32.24 N ATOM 233 CA ARG A 16 -26.372 -5.470 -7.616 1.00 15.30 C ATOM 234 C ARG A 16 -27.860 -5.344 -7.921 1.00 74.23 C ATOM 235 O ARG A 16 -28.662 -5.037 -7.039 1.00 15.23 O ATOM 236 CB ARG A 16 -25.678 -4.135 -7.907 1.00 23.14 C ATOM 237 CG ARG A 16 -24.247 -4.066 -7.402 1.00 71.35 C ATOM 238 CD ARG A 16 -24.180 -4.041 -5.884 1.00 63.11 C ATOM 239 NE ARG A 16 -24.747 -2.811 -5.331 1.00 73.55 N ATOM 240 CZ ARG A 16 -24.176 -2.099 -4.363 1.00 72.42 C ATOM 241 NH1 ARG A 16 -22.988 -2.448 -3.887 1.00 4.32 N ATOM 242 NH2 ARG A 16 -24.780 -1.015 -3.896 1.00 75.13 N ATOM 0 H ARG A 16 -25.035 -6.246 -9.037 1.00 32.24 H new ATOM 0 HA ARG A 16 -26.252 -5.716 -6.561 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -25.683 -3.961 -8.983 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -26.254 -3.330 -7.451 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -23.689 -4.925 -7.775 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -23.764 -3.174 -7.801 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -24.718 -4.900 -5.483 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -23.142 -4.137 -5.565 1.00 63.11 H new ATOM 0 HE ARG A 16 -25.634 -2.479 -5.711 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -22.508 -3.266 -4.263 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -22.555 -1.899 -3.145 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -25.681 -0.728 -4.279 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -24.344 -0.468 -3.154 1.00 75.13 H new ATOM 256 N ASN A 17 -28.224 -5.568 -9.177 1.00 21.01 N ATOM 257 CA ASN A 17 -29.623 -5.511 -9.579 1.00 71.44 C ATOM 258 C ASN A 17 -30.372 -6.752 -9.119 1.00 24.13 C ATOM 259 O ASN A 17 -31.506 -6.661 -8.654 1.00 64.41 O ATOM 260 CB ASN A 17 -29.760 -5.353 -11.096 1.00 22.11 C ATOM 261 CG ASN A 17 -29.613 -3.913 -11.549 1.00 54.33 C ATOM 262 OD1 ASN A 17 -30.592 -3.171 -11.609 1.00 70.12 O ATOM 263 ND2 ASN A 17 -28.399 -3.502 -11.878 1.00 64.22 N ATOM 0 H ASN A 17 -27.574 -5.790 -9.931 1.00 21.01 H new ATOM 0 HA ASN A 17 -30.063 -4.637 -9.100 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -29.005 -5.964 -11.591 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -30.733 -5.731 -11.410 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -28.253 -2.543 -12.193 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -27.609 -4.144 -11.816 1.00 64.22 H new ATOM 270 N ALA A 18 -29.733 -7.908 -9.247 1.00 24.13 N ATOM 271 CA ALA A 18 -30.345 -9.168 -8.845 1.00 52.44 C ATOM 272 C ALA A 18 -30.472 -9.260 -7.326 1.00 63.32 C ATOM 273 O ALA A 18 -31.553 -9.523 -6.796 1.00 53.11 O ATOM 274 CB ALA A 18 -29.540 -10.342 -9.386 1.00 44.34 C ATOM 0 H ALA A 18 -28.791 -7.999 -9.626 1.00 24.13 H new ATOM 0 HA ALA A 18 -31.349 -9.207 -9.267 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -30.008 -11.277 -9.078 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -29.510 -10.292 -10.474 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -28.524 -10.299 -8.993 1.00 44.34 H new ATOM 280 N PHE A 19 -29.361 -9.041 -6.634 1.00 32.44 N ATOM 281 CA PHE A 19 -29.327 -9.109 -5.181 1.00 64.45 C ATOM 282 C PHE A 19 -28.500 -7.949 -4.629 1.00 11.13 C ATOM 283 O PHE A 19 -27.280 -8.049 -4.513 1.00 74.13 O ATOM 284 CB PHE A 19 -28.719 -10.436 -4.707 1.00 5.30 C ATOM 285 CG PHE A 19 -29.316 -11.657 -5.348 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.560 -12.126 -4.962 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.625 -12.336 -6.339 1.00 21.44 C ATOM 288 CE1 PHE A 19 -31.104 -13.249 -5.554 1.00 53.12 C ATOM 289 CE2 PHE A 19 -29.165 -13.461 -6.933 1.00 21.41 C ATOM 290 CZ PHE A 19 -30.406 -13.917 -6.540 1.00 4.25 C ATOM 0 H PHE A 19 -28.464 -8.813 -7.062 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.351 -9.043 -4.813 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.648 -10.423 -4.907 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.840 -10.512 -3.626 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -31.111 -11.609 -4.190 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.653 -11.982 -6.651 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -32.076 -13.605 -5.245 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -28.616 -13.982 -7.704 1.00 21.41 H new ATOM 0 HZ PHE A 19 -30.831 -14.795 -7.003 1.00 4.25 H new ATOM 300 N PRO A 20 -29.148 -6.825 -4.289 1.00 74.32 N ATOM 301 CA PRO A 20 -28.453 -5.642 -3.767 1.00 62.04 C ATOM 302 C PRO A 20 -27.767 -5.927 -2.433 1.00 53.13 C ATOM 303 O PRO A 20 -26.760 -5.304 -2.089 1.00 3.14 O ATOM 304 CB PRO A 20 -29.574 -4.610 -3.579 1.00 73.25 C ATOM 305 CG PRO A 20 -30.712 -5.112 -4.401 1.00 43.34 C ATOM 306 CD PRO A 20 -30.597 -6.609 -4.395 1.00 54.10 C ATOM 0 HA PRO A 20 -27.663 -5.306 -4.438 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -29.855 -4.522 -2.530 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -29.257 -3.620 -3.908 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -31.666 -4.792 -3.983 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -30.662 -4.721 -5.417 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.134 -7.052 -3.557 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.006 -7.050 -5.304 1.00 54.10 H new ATOM 314 N GLU A 21 -28.309 -6.891 -1.702 1.00 43.25 N ATOM 315 CA GLU A 21 -27.814 -7.224 -0.371 1.00 14.45 C ATOM 316 C GLU A 21 -26.831 -8.391 -0.419 1.00 61.52 C ATOM 317 O GLU A 21 -26.474 -8.953 0.615 1.00 44.12 O ATOM 318 CB GLU A 21 -28.986 -7.575 0.542 1.00 73.54 C ATOM 319 CG GLU A 21 -30.054 -6.498 0.586 1.00 25.00 C ATOM 320 CD GLU A 21 -31.217 -6.864 1.481 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.060 -7.685 1.066 1.00 2.14 O ATOM 322 OE2 GLU A 21 -31.305 -6.317 2.600 1.00 31.02 O ATOM 0 H GLU A 21 -29.097 -7.461 -2.010 1.00 43.25 H new ATOM 0 HA GLU A 21 -27.288 -6.354 0.022 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -29.435 -8.509 0.203 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -28.613 -7.748 1.551 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -29.610 -5.566 0.937 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -30.422 -6.315 -0.424 1.00 25.00 H new ATOM 329 N ALA A 22 -26.394 -8.748 -1.620 1.00 13.31 N ATOM 330 CA ALA A 22 -25.453 -9.846 -1.793 1.00 45.34 C ATOM 331 C ALA A 22 -24.025 -9.367 -1.592 1.00 74.40 C ATOM 332 O ALA A 22 -23.680 -8.246 -1.976 1.00 53.45 O ATOM 333 CB ALA A 22 -25.604 -10.463 -3.173 1.00 43.43 C ATOM 0 H ALA A 22 -26.676 -8.293 -2.488 1.00 13.31 H new ATOM 0 HA ALA A 22 -25.675 -10.604 -1.042 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -24.893 -11.282 -3.285 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.618 -10.844 -3.292 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.409 -9.707 -3.933 1.00 43.43 H new ATOM 339 N GLU A 23 -23.201 -10.207 -0.988 1.00 31.23 N ATOM 340 CA GLU A 23 -21.803 -9.873 -0.791 1.00 5.24 C ATOM 341 C GLU A 23 -21.018 -10.151 -2.065 1.00 11.04 C ATOM 342 O GLU A 23 -20.841 -11.308 -2.458 1.00 5.32 O ATOM 343 CB GLU A 23 -21.206 -10.665 0.374 1.00 2.23 C ATOM 344 CG GLU A 23 -19.751 -10.317 0.645 1.00 32.11 C ATOM 345 CD GLU A 23 -19.119 -11.198 1.698 1.00 53.32 C ATOM 346 OE1 GLU A 23 -18.872 -12.385 1.414 1.00 2.10 O ATOM 347 OE2 GLU A 23 -18.831 -10.701 2.804 1.00 74.04 O ATOM 0 H GLU A 23 -23.475 -11.121 -0.628 1.00 31.23 H new ATOM 0 HA GLU A 23 -21.737 -8.812 -0.550 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -21.793 -10.476 1.273 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.285 -11.731 0.160 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -19.184 -10.404 -0.282 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -19.685 -9.276 0.963 1.00 32.11 H new ATOM 354 N ILE A 24 -20.567 -9.091 -2.713 1.00 13.41 N ATOM 355 CA ILE A 24 -19.807 -9.220 -3.942 1.00 74.24 C ATOM 356 C ILE A 24 -18.326 -9.047 -3.656 1.00 61.32 C ATOM 357 O ILE A 24 -17.873 -7.952 -3.326 1.00 75.31 O ATOM 358 CB ILE A 24 -20.242 -8.174 -4.990 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.757 -8.225 -5.197 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.514 -8.412 -6.309 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.281 -7.133 -6.104 1.00 33.11 C ATOM 0 H ILE A 24 -20.715 -8.129 -2.407 1.00 13.41 H new ATOM 0 HA ILE A 24 -19.999 -10.215 -4.345 1.00 74.24 H new ATOM 0 HB ILE A 24 -19.978 -7.182 -4.623 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.026 -9.194 -5.617 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.251 -8.149 -4.228 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.831 -7.667 -7.039 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.439 -8.331 -6.151 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.752 -9.408 -6.681 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.362 -7.231 -6.205 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.044 -6.159 -5.676 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -21.815 -7.221 -7.086 1.00 33.11 H new ATOM 373 N THR A 25 -17.576 -10.123 -3.782 1.00 14.02 N ATOM 374 CA THR A 25 -16.152 -10.075 -3.534 1.00 54.43 C ATOM 375 C THR A 25 -15.380 -10.555 -4.755 1.00 60.33 C ATOM 376 O THR A 25 -15.449 -11.727 -5.132 1.00 24.53 O ATOM 377 CB THR A 25 -15.779 -10.935 -2.314 1.00 3.22 C ATOM 378 OG1 THR A 25 -16.606 -10.583 -1.195 1.00 13.51 O ATOM 379 CG2 THR A 25 -14.315 -10.749 -1.938 1.00 30.53 C ATOM 0 H THR A 25 -17.930 -11.040 -4.055 1.00 14.02 H new ATOM 0 HA THR A 25 -15.884 -9.039 -3.328 1.00 54.43 H new ATOM 0 HB THR A 25 -15.940 -11.980 -2.578 1.00 3.22 H new ATOM 0 HG1 THR A 25 -16.042 -10.270 -0.457 1.00 13.51 H new ATOM 0 HG21 THR A 25 -14.080 -11.369 -1.073 1.00 30.53 H new ATOM 0 HG22 THR A 25 -13.684 -11.042 -2.777 1.00 30.53 H new ATOM 0 HG23 THR A 25 -14.132 -9.702 -1.695 1.00 30.53 H new ATOM 387 N VAL A 26 -14.656 -9.642 -5.382 1.00 74.44 N ATOM 388 CA VAL A 26 -13.844 -9.987 -6.534 1.00 13.43 C ATOM 389 C VAL A 26 -12.503 -10.555 -6.078 1.00 70.34 C ATOM 390 O VAL A 26 -11.700 -9.867 -5.451 1.00 52.34 O ATOM 391 CB VAL A 26 -13.631 -8.775 -7.472 1.00 24.42 C ATOM 392 CG1 VAL A 26 -14.921 -8.453 -8.212 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.146 -7.553 -6.700 1.00 35.24 C ATOM 0 H VAL A 26 -14.615 -8.659 -5.112 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.379 -10.747 -7.104 1.00 13.43 H new ATOM 0 HB VAL A 26 -12.860 -9.040 -8.195 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -14.760 -7.599 -8.869 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -15.225 -9.315 -8.806 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -15.704 -8.214 -7.492 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.006 -6.720 -7.388 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -13.886 -7.281 -5.947 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -12.199 -7.783 -6.212 1.00 35.24 H new ATOM 403 N THR A 27 -12.281 -11.825 -6.371 1.00 53.51 N ATOM 404 CA THR A 27 -11.071 -12.496 -5.943 1.00 3.34 C ATOM 405 C THR A 27 -10.022 -12.425 -7.042 1.00 43.20 C ATOM 406 O THR A 27 -10.121 -13.108 -8.065 1.00 52.12 O ATOM 407 CB THR A 27 -11.352 -13.966 -5.581 1.00 60.22 C ATOM 408 OG1 THR A 27 -12.472 -14.029 -4.690 1.00 55.14 O ATOM 409 CG2 THR A 27 -10.140 -14.609 -4.922 1.00 63.14 C ATOM 0 H THR A 27 -12.925 -12.410 -6.904 1.00 53.51 H new ATOM 0 HA THR A 27 -10.698 -11.990 -5.053 1.00 3.34 H new ATOM 0 HB THR A 27 -11.572 -14.512 -6.498 1.00 60.22 H new ATOM 0 HG1 THR A 27 -12.654 -14.964 -4.459 1.00 55.14 H new ATOM 0 HG21 THR A 27 -10.367 -15.647 -4.677 1.00 63.14 H new ATOM 0 HG22 THR A 27 -9.293 -14.575 -5.607 1.00 63.14 H new ATOM 0 HG23 THR A 27 -9.892 -14.067 -4.010 1.00 63.14 H new ATOM 417 N SER A 28 -9.035 -11.576 -6.829 1.00 23.54 N ATOM 418 CA SER A 28 -7.975 -11.377 -7.793 1.00 22.03 C ATOM 419 C SER A 28 -6.809 -12.315 -7.502 1.00 14.30 C ATOM 420 O SER A 28 -6.022 -12.083 -6.583 1.00 32.51 O ATOM 421 CB SER A 28 -7.512 -9.919 -7.765 1.00 23.21 C ATOM 422 OG SER A 28 -8.615 -9.035 -7.896 1.00 51.11 O ATOM 0 H SER A 28 -8.947 -11.008 -5.986 1.00 23.54 H new ATOM 0 HA SER A 28 -8.356 -11.605 -8.789 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.988 -9.717 -6.831 1.00 23.21 H new ATOM 0 HB3 SER A 28 -6.802 -9.743 -8.573 1.00 23.21 H new ATOM 0 HG SER A 28 -8.329 -8.122 -7.684 1.00 51.11 H new ATOM 428 N LEU A 29 -6.734 -13.393 -8.265 1.00 60.25 N ATOM 429 CA LEU A 29 -5.645 -14.348 -8.148 1.00 24.55 C ATOM 430 C LEU A 29 -5.197 -14.757 -9.539 1.00 12.10 C ATOM 431 O LEU A 29 -6.022 -14.891 -10.443 1.00 65.12 O ATOM 432 CB LEU A 29 -6.066 -15.590 -7.340 1.00 52.33 C ATOM 433 CG LEU A 29 -7.032 -16.561 -8.041 1.00 2.03 C ATOM 434 CD1 LEU A 29 -7.091 -17.880 -7.293 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.429 -15.966 -8.147 1.00 60.32 C ATOM 0 H LEU A 29 -7.423 -13.630 -8.979 1.00 60.25 H new ATOM 0 HA LEU A 29 -4.822 -13.874 -7.613 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -5.167 -16.141 -7.065 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -6.531 -15.254 -6.413 1.00 52.33 H new ATOM 0 HG LEU A 29 -6.655 -16.736 -9.049 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -7.779 -18.556 -7.801 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -6.097 -18.327 -7.265 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -7.440 -17.706 -6.275 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -9.089 -16.675 -8.647 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -8.812 -15.756 -7.148 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -8.388 -15.041 -8.722 1.00 60.32 H new ATOM 447 N VAL A 30 -3.900 -14.934 -9.718 1.00 4.40 N ATOM 448 CA VAL A 30 -3.369 -15.297 -11.020 1.00 1.44 C ATOM 449 C VAL A 30 -1.909 -15.739 -10.929 1.00 64.14 C ATOM 450 O VAL A 30 -1.024 -14.966 -10.559 1.00 15.34 O ATOM 451 CB VAL A 30 -3.520 -14.135 -12.044 1.00 71.32 C ATOM 452 CG1 VAL A 30 -2.873 -12.854 -11.538 1.00 52.04 C ATOM 453 CG2 VAL A 30 -2.951 -14.529 -13.401 1.00 30.41 C ATOM 0 H VAL A 30 -3.199 -14.833 -8.984 1.00 4.40 H new ATOM 0 HA VAL A 30 -3.958 -16.142 -11.376 1.00 1.44 H new ATOM 0 HB VAL A 30 -4.586 -13.940 -12.163 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -2.999 -12.065 -12.280 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -3.346 -12.552 -10.604 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -1.810 -13.026 -11.368 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -3.068 -13.700 -14.099 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -1.893 -14.768 -13.296 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -3.484 -15.401 -13.780 1.00 30.41 H new ATOM 463 N GLY A 31 -1.685 -17.006 -11.225 1.00 42.32 N ATOM 464 CA GLY A 31 -0.340 -17.506 -11.398 1.00 63.24 C ATOM 465 C GLY A 31 -0.133 -17.908 -12.836 1.00 24.53 C ATOM 466 O GLY A 31 0.803 -17.456 -13.500 1.00 24.33 O ATOM 0 H GLY A 31 -2.418 -17.704 -11.350 1.00 42.32 H new ATOM 0 HA2 GLY A 31 0.383 -16.740 -11.116 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -0.171 -18.361 -10.743 1.00 63.24 H new ATOM 470 N ASP A 32 -1.032 -18.749 -13.318 1.00 54.21 N ATOM 471 CA ASP A 32 -1.100 -19.088 -14.728 1.00 24.22 C ATOM 472 C ASP A 32 -2.133 -18.178 -15.385 1.00 21.34 C ATOM 473 O ASP A 32 -3.082 -17.759 -14.724 1.00 50.54 O ATOM 474 CB ASP A 32 -1.488 -20.557 -14.900 1.00 33.31 C ATOM 475 CG ASP A 32 -1.402 -21.023 -16.336 1.00 63.05 C ATOM 476 OD1 ASP A 32 -0.286 -21.356 -16.789 1.00 1.50 O ATOM 477 OD2 ASP A 32 -2.445 -21.074 -17.017 1.00 71.24 O ATOM 0 H ASP A 32 -1.734 -19.215 -12.743 1.00 54.21 H new ATOM 0 HA ASP A 32 -0.127 -18.944 -15.199 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -0.836 -21.175 -14.283 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -2.505 -20.704 -14.536 1.00 33.31 H new ATOM 482 N ASN A 33 -1.946 -17.849 -16.659 1.00 11.01 N ATOM 483 CA ASN A 33 -2.826 -16.890 -17.330 1.00 33.31 C ATOM 484 C ASN A 33 -4.258 -17.408 -17.425 1.00 73.15 C ATOM 485 O ASN A 33 -4.581 -18.231 -18.281 1.00 35.41 O ATOM 486 CB ASN A 33 -2.310 -16.554 -18.731 1.00 23.21 C ATOM 487 CG ASN A 33 -3.179 -15.516 -19.428 1.00 63.34 C ATOM 488 OD1 ASN A 33 -3.773 -14.650 -18.786 1.00 61.15 O ATOM 489 ND2 ASN A 33 -3.277 -15.610 -20.744 1.00 30.04 N ATOM 0 H ASN A 33 -1.202 -18.226 -17.246 1.00 11.01 H new ATOM 0 HA ASN A 33 -2.826 -15.985 -16.723 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -1.288 -16.182 -18.661 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -2.278 -17.462 -19.333 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -3.860 -14.951 -21.260 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -2.770 -16.341 -21.242 1.00 30.04 H new ATOM 496 N ASN A 34 -5.113 -16.907 -16.548 1.00 61.41 N ATOM 497 CA ASN A 34 -6.512 -17.300 -16.519 1.00 4.13 C ATOM 498 C ASN A 34 -7.356 -16.090 -16.117 1.00 1.44 C ATOM 499 O ASN A 34 -6.853 -14.965 -16.084 1.00 40.12 O ATOM 500 CB ASN A 34 -6.711 -18.460 -15.528 1.00 53.13 C ATOM 501 CG ASN A 34 -7.922 -19.330 -15.846 1.00 60.20 C ATOM 502 OD1 ASN A 34 -8.918 -18.868 -16.400 1.00 22.32 O ATOM 503 ND2 ASN A 34 -7.844 -20.604 -15.491 1.00 24.41 N ATOM 0 H ASN A 34 -4.858 -16.219 -15.839 1.00 61.41 H new ATOM 0 HA ASN A 34 -6.825 -17.642 -17.505 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -5.817 -19.083 -15.526 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -6.819 -18.054 -14.522 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -8.625 -21.234 -15.676 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -7.003 -20.955 -15.033 1.00 24.41 H new ATOM 510 N HIS A 35 -8.627 -16.316 -15.831 1.00 11.54 N ATOM 511 CA HIS A 35 -9.522 -15.252 -15.398 1.00 21.41 C ATOM 512 C HIS A 35 -9.491 -15.121 -13.881 1.00 54.15 C ATOM 513 O HIS A 35 -8.742 -15.828 -13.207 1.00 54.44 O ATOM 514 CB HIS A 35 -10.954 -15.525 -15.873 1.00 25.33 C ATOM 515 CG HIS A 35 -11.104 -15.502 -17.361 1.00 13.33 C ATOM 516 ND1 HIS A 35 -11.824 -16.441 -18.069 1.00 35.21 N ATOM 517 CD2 HIS A 35 -10.621 -14.634 -18.278 1.00 50.13 C ATOM 518 CE1 HIS A 35 -11.770 -16.154 -19.356 1.00 24.43 C ATOM 519 NE2 HIS A 35 -11.049 -15.062 -19.508 1.00 23.03 N ATOM 0 H HIS A 35 -9.067 -17.234 -15.891 1.00 11.54 H new ATOM 0 HA HIS A 35 -9.182 -14.316 -15.841 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -11.273 -16.498 -15.499 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -11.621 -14.781 -15.437 1.00 25.33 H new ATOM 0 HD1 HIS A 35 -12.321 -17.233 -17.662 1.00 35.21 H new ATOM 0 HD2 HIS A 35 -10.011 -13.765 -18.079 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -12.237 -16.718 -20.149 1.00 24.43 H new ATOM 528 N TYR A 36 -10.313 -14.233 -13.345 1.00 43.33 N ATOM 529 CA TYR A 36 -10.351 -14.008 -11.907 1.00 71.31 C ATOM 530 C TYR A 36 -11.579 -14.677 -11.304 1.00 40.50 C ATOM 531 O TYR A 36 -12.474 -15.112 -12.030 1.00 24.43 O ATOM 532 CB TYR A 36 -10.349 -12.506 -11.600 1.00 22.12 C ATOM 533 CG TYR A 36 -9.152 -11.779 -12.169 1.00 15.02 C ATOM 534 CD1 TYR A 36 -7.921 -11.819 -11.525 1.00 41.21 C ATOM 535 CD2 TYR A 36 -9.251 -11.057 -13.352 1.00 43.30 C ATOM 536 CE1 TYR A 36 -6.822 -11.162 -12.046 1.00 62.32 C ATOM 537 CE2 TYR A 36 -8.159 -10.397 -13.878 1.00 62.54 C ATOM 538 CZ TYR A 36 -6.948 -10.451 -13.221 1.00 1.54 C ATOM 539 OH TYR A 36 -5.855 -9.798 -13.745 1.00 12.31 O ATOM 0 H TYR A 36 -10.962 -13.657 -13.882 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.460 -14.449 -11.459 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.260 -12.060 -12.000 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -10.372 -12.363 -10.520 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -7.821 -12.372 -10.603 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -10.198 -11.012 -13.869 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -5.871 -11.205 -11.536 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -8.253 -9.841 -14.799 1.00 62.54 H new ATOM 0 HH TYR A 36 -6.111 -9.346 -14.576 1.00 12.31 H new ATOM 549 N SER A 37 -11.622 -14.765 -9.984 1.00 2.23 N ATOM 550 CA SER A 37 -12.682 -15.500 -9.317 1.00 21.11 C ATOM 551 C SER A 37 -13.739 -14.551 -8.765 1.00 62.15 C ATOM 552 O SER A 37 -13.421 -13.567 -8.093 1.00 50.13 O ATOM 553 CB SER A 37 -12.098 -16.361 -8.195 1.00 62.23 C ATOM 554 OG SER A 37 -13.030 -17.331 -7.751 1.00 63.00 O ATOM 0 H SER A 37 -10.939 -14.339 -9.357 1.00 2.23 H new ATOM 0 HA SER A 37 -13.162 -16.150 -10.048 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.194 -16.857 -8.548 1.00 62.23 H new ATOM 0 HB3 SER A 37 -11.807 -15.724 -7.359 1.00 62.23 H new ATOM 0 HG SER A 37 -12.942 -18.142 -8.294 1.00 63.00 H new ATOM 560 N ILE A 38 -14.993 -14.837 -9.068 1.00 34.53 N ATOM 561 CA ILE A 38 -16.097 -14.035 -8.574 1.00 12.35 C ATOM 562 C ILE A 38 -16.746 -14.720 -7.372 1.00 21.51 C ATOM 563 O ILE A 38 -17.457 -15.714 -7.525 1.00 24.12 O ATOM 564 CB ILE A 38 -17.158 -13.808 -9.672 1.00 73.40 C ATOM 565 CG1 ILE A 38 -16.500 -13.257 -10.942 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.239 -12.856 -9.176 1.00 23.22 C ATOM 567 CD1 ILE A 38 -17.454 -13.113 -12.109 1.00 24.22 C ATOM 0 H ILE A 38 -15.272 -15.622 -9.656 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.698 -13.066 -8.273 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.623 -14.765 -9.910 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -16.062 -12.284 -10.720 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -15.682 -13.916 -11.232 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -18.980 -12.706 -9.961 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -18.723 -13.281 -8.297 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -17.789 -11.899 -8.914 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -16.917 -12.718 -12.971 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -17.874 -14.088 -12.358 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -18.259 -12.430 -11.839 1.00 24.22 H new ATOM 579 N LYS A 39 -16.481 -14.204 -6.178 1.00 62.41 N ATOM 580 CA LYS A 39 -17.056 -14.769 -4.968 1.00 70.34 C ATOM 581 C LYS A 39 -18.340 -14.032 -4.618 1.00 25.51 C ATOM 582 O LYS A 39 -18.317 -12.845 -4.284 1.00 73.43 O ATOM 583 CB LYS A 39 -16.048 -14.706 -3.805 1.00 35.52 C ATOM 584 CG LYS A 39 -16.556 -15.323 -2.504 1.00 1.32 C ATOM 585 CD LYS A 39 -17.107 -14.271 -1.551 1.00 0.22 C ATOM 586 CE LYS A 39 -16.106 -13.931 -0.454 1.00 64.33 C ATOM 587 NZ LYS A 39 -16.554 -12.777 0.373 1.00 52.43 N ATOM 0 H LYS A 39 -15.874 -13.399 -6.024 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.292 -15.818 -5.144 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -15.133 -15.217 -4.104 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -15.786 -13.664 -3.622 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -17.334 -16.052 -2.728 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -15.744 -15.863 -2.017 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -17.357 -13.369 -2.109 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -18.031 -14.634 -1.102 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -15.961 -14.801 0.186 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.140 -13.701 -0.903 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -15.869 -12.612 1.138 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -16.619 -11.927 -0.223 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -17.487 -12.985 0.783 1.00 52.43 H new ATOM 601 N VAL A 40 -19.459 -14.733 -4.718 1.00 63.22 N ATOM 602 CA VAL A 40 -20.757 -14.141 -4.443 1.00 35.24 C ATOM 603 C VAL A 40 -21.436 -14.857 -3.285 1.00 33.00 C ATOM 604 O VAL A 40 -21.789 -16.032 -3.389 1.00 4.22 O ATOM 605 CB VAL A 40 -21.687 -14.189 -5.679 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.018 -13.517 -5.377 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.022 -13.534 -6.878 1.00 42.04 C ATOM 0 H VAL A 40 -19.493 -15.716 -4.989 1.00 63.22 H new ATOM 0 HA VAL A 40 -20.580 -13.097 -4.183 1.00 35.24 H new ATOM 0 HB VAL A 40 -21.876 -15.235 -5.920 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -23.657 -13.562 -6.259 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -23.506 -14.032 -4.549 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -22.846 -12.475 -5.106 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -21.693 -13.579 -7.736 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -20.798 -12.493 -6.646 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.097 -14.060 -7.113 1.00 42.04 H new ATOM 617 N ILE A 41 -21.601 -14.153 -2.178 1.00 54.23 N ATOM 618 CA ILE A 41 -22.276 -14.712 -1.025 1.00 33.03 C ATOM 619 C ILE A 41 -23.713 -14.219 -0.972 1.00 40.43 C ATOM 620 O ILE A 41 -23.973 -13.027 -0.780 1.00 0.12 O ATOM 621 CB ILE A 41 -21.545 -14.363 0.288 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.143 -14.980 0.292 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.341 -14.837 1.496 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.134 -16.492 0.180 1.00 73.31 C ATOM 0 H ILE A 41 -21.276 -13.194 -2.056 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.270 -15.797 -1.129 1.00 33.03 H new ATOM 0 HB ILE A 41 -21.451 -13.279 0.351 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -19.571 -14.561 -0.536 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -19.633 -14.691 1.211 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -21.805 -14.579 2.409 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.318 -14.354 1.500 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.471 -15.918 1.445 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.105 -16.851 0.190 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.677 -16.922 1.022 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.614 -16.791 -0.752 1.00 73.31 H new ATOM 636 N SER A 42 -24.639 -15.136 -1.196 1.00 20.34 N ATOM 637 CA SER A 42 -26.055 -14.832 -1.143 1.00 24.41 C ATOM 638 C SER A 42 -26.807 -16.012 -0.546 1.00 53.10 C ATOM 639 O SER A 42 -26.672 -17.139 -1.021 1.00 71.22 O ATOM 640 CB SER A 42 -26.587 -14.528 -2.545 1.00 15.34 C ATOM 641 OG SER A 42 -25.764 -13.588 -3.211 1.00 44.11 O ATOM 0 H SER A 42 -24.429 -16.109 -1.419 1.00 20.34 H new ATOM 0 HA SER A 42 -26.206 -13.953 -0.517 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.636 -15.449 -3.126 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.603 -14.141 -2.475 1.00 15.34 H new ATOM 0 HG SER A 42 -26.125 -13.412 -4.105 1.00 44.11 H new ATOM 647 N SER A 43 -27.596 -15.748 0.487 1.00 30.43 N ATOM 648 CA SER A 43 -28.362 -16.791 1.164 1.00 73.12 C ATOM 649 C SER A 43 -29.424 -17.396 0.243 1.00 23.01 C ATOM 650 O SER A 43 -30.052 -18.403 0.572 1.00 1.22 O ATOM 651 CB SER A 43 -29.019 -16.206 2.413 1.00 14.53 C ATOM 652 OG SER A 43 -28.078 -15.466 3.172 1.00 21.44 O ATOM 0 H SER A 43 -27.724 -14.815 0.878 1.00 30.43 H new ATOM 0 HA SER A 43 -27.678 -17.591 1.447 1.00 73.12 H new ATOM 0 HB2 SER A 43 -29.850 -15.562 2.125 1.00 14.53 H new ATOM 0 HB3 SER A 43 -29.434 -17.009 3.022 1.00 14.53 H new ATOM 0 HG SER A 43 -28.517 -15.097 3.967 1.00 21.44 H new ATOM 658 N GLN A 44 -29.621 -16.775 -0.912 1.00 22.21 N ATOM 659 CA GLN A 44 -30.586 -17.259 -1.885 1.00 35.52 C ATOM 660 C GLN A 44 -29.961 -18.276 -2.838 1.00 53.44 C ATOM 661 O GLN A 44 -30.646 -18.801 -3.709 1.00 5.22 O ATOM 662 CB GLN A 44 -31.214 -16.108 -2.670 1.00 53.01 C ATOM 663 CG GLN A 44 -32.137 -15.238 -1.829 1.00 53.14 C ATOM 664 CD GLN A 44 -32.941 -14.256 -2.658 1.00 12.44 C ATOM 665 OE1 GLN A 44 -33.286 -14.530 -3.809 1.00 4.51 O ATOM 666 NE2 GLN A 44 -33.252 -13.109 -2.077 1.00 42.54 N ATOM 0 H GLN A 44 -29.122 -15.932 -1.197 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.376 -17.761 -1.326 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -30.421 -15.487 -3.087 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.776 -16.515 -3.511 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -32.820 -15.877 -1.269 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.544 -14.688 -1.098 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -32.947 -12.922 -1.122 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -33.797 -12.412 -2.584 1.00 42.54 H new ATOM 675 N PHE A 45 -28.667 -18.551 -2.680 1.00 2.34 N ATOM 676 CA PHE A 45 -28.007 -19.577 -3.491 1.00 54.05 C ATOM 677 C PHE A 45 -28.294 -20.956 -2.920 1.00 52.21 C ATOM 678 O PHE A 45 -28.033 -21.976 -3.555 1.00 54.32 O ATOM 679 CB PHE A 45 -26.494 -19.346 -3.547 1.00 21.10 C ATOM 680 CG PHE A 45 -26.019 -18.693 -4.816 1.00 62.12 C ATOM 681 CD1 PHE A 45 -25.928 -19.426 -5.988 1.00 10.23 C ATOM 682 CD2 PHE A 45 -25.648 -17.358 -4.836 1.00 52.02 C ATOM 683 CE1 PHE A 45 -25.481 -18.842 -7.156 1.00 25.21 C ATOM 684 CE2 PHE A 45 -25.200 -16.766 -6.004 1.00 22.14 C ATOM 685 CZ PHE A 45 -25.115 -17.511 -7.165 1.00 32.51 C ATOM 0 H PHE A 45 -28.059 -18.085 -2.006 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.403 -19.513 -4.505 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -26.200 -18.726 -2.700 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.987 -20.304 -3.432 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.211 -20.468 -5.988 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -25.709 -16.773 -3.930 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -25.418 -19.426 -8.062 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -24.917 -15.724 -6.008 1.00 22.14 H new ATOM 0 HZ PHE A 45 -24.763 -17.053 -8.077 1.00 32.51 H new ATOM 695 N GLN A 46 -28.853 -20.969 -1.722 1.00 72.45 N ATOM 696 CA GLN A 46 -29.247 -22.199 -1.063 1.00 75.13 C ATOM 697 C GLN A 46 -30.740 -22.426 -1.257 1.00 33.34 C ATOM 698 O GLN A 46 -31.523 -21.474 -1.284 1.00 13.13 O ATOM 699 CB GLN A 46 -28.900 -22.158 0.432 1.00 64.41 C ATOM 700 CG GLN A 46 -27.406 -22.238 0.731 1.00 21.44 C ATOM 701 CD GLN A 46 -26.643 -20.993 0.310 1.00 44.02 C ATOM 702 OE1 GLN A 46 -27.176 -19.884 0.329 1.00 34.13 O ATOM 703 NE2 GLN A 46 -25.392 -21.169 -0.081 1.00 64.01 N ATOM 0 H GLN A 46 -29.046 -20.127 -1.180 1.00 72.45 H new ATOM 0 HA GLN A 46 -28.696 -23.027 -1.510 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -29.296 -21.237 0.860 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -29.404 -22.985 0.933 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -27.264 -22.399 1.800 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -26.986 -23.104 0.220 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -24.985 -22.104 -0.083 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -24.834 -20.369 -0.381 1.00 64.01 H new ATOM 712 N GLY A 47 -31.129 -23.678 -1.416 1.00 61.23 N ATOM 713 CA GLY A 47 -32.521 -23.992 -1.667 1.00 30.52 C ATOM 714 C GLY A 47 -32.799 -24.218 -3.136 1.00 5.25 C ATOM 715 O GLY A 47 -33.906 -24.599 -3.517 1.00 33.03 O ATOM 0 H GLY A 47 -30.507 -24.485 -1.376 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -32.798 -24.884 -1.105 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -33.147 -23.178 -1.301 1.00 30.52 H new ATOM 719 N LYS A 48 -31.793 -23.975 -3.968 1.00 74.22 N ATOM 720 CA LYS A 48 -31.885 -24.286 -5.385 1.00 25.13 C ATOM 721 C LYS A 48 -31.142 -25.577 -5.675 1.00 55.24 C ATOM 722 O LYS A 48 -30.094 -25.841 -5.087 1.00 42.13 O ATOM 723 CB LYS A 48 -31.328 -23.147 -6.245 1.00 2.30 C ATOM 724 CG LYS A 48 -32.255 -21.945 -6.335 1.00 31.41 C ATOM 725 CD LYS A 48 -31.579 -20.677 -5.846 1.00 43.32 C ATOM 726 CE LYS A 48 -30.367 -20.311 -6.690 1.00 50.32 C ATOM 727 NZ LYS A 48 -30.743 -19.913 -8.073 1.00 10.22 N ATOM 0 H LYS A 48 -30.904 -23.563 -3.683 1.00 74.22 H new ATOM 0 HA LYS A 48 -32.938 -24.408 -5.640 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -30.370 -22.827 -5.834 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -31.134 -23.522 -7.250 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -32.577 -21.811 -7.368 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -33.151 -22.131 -5.743 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -32.295 -19.855 -5.865 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -31.271 -20.808 -4.809 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -29.828 -19.493 -6.212 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -29.685 -21.161 -6.731 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -29.956 -19.392 -8.510 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -30.949 -20.763 -8.635 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -31.586 -19.305 -8.042 1.00 10.22 H new ATOM 741 N SER A 49 -31.703 -26.379 -6.564 1.00 13.41 N ATOM 742 CA SER A 49 -31.122 -27.664 -6.921 1.00 51.51 C ATOM 743 C SER A 49 -29.725 -27.496 -7.517 1.00 12.24 C ATOM 744 O SER A 49 -29.374 -26.424 -8.018 1.00 74.40 O ATOM 745 CB SER A 49 -32.041 -28.374 -7.912 1.00 73.24 C ATOM 746 OG SER A 49 -33.376 -28.375 -7.437 1.00 23.44 O ATOM 0 H SER A 49 -32.569 -26.160 -7.057 1.00 13.41 H new ATOM 0 HA SER A 49 -31.023 -28.265 -6.017 1.00 51.51 H new ATOM 0 HB2 SER A 49 -31.994 -27.877 -8.881 1.00 73.24 H new ATOM 0 HB3 SER A 49 -31.701 -29.399 -8.062 1.00 73.24 H new ATOM 0 HG SER A 49 -33.953 -28.832 -8.084 1.00 23.44 H new ATOM 752 N LYS A 50 -28.935 -28.562 -7.451 1.00 4.42 N ATOM 753 CA LYS A 50 -27.570 -28.560 -7.969 1.00 71.43 C ATOM 754 C LYS A 50 -27.560 -28.120 -9.433 1.00 23.45 C ATOM 755 O LYS A 50 -26.747 -27.282 -9.844 1.00 32.41 O ATOM 756 CB LYS A 50 -26.963 -29.962 -7.840 1.00 4.10 C ATOM 757 CG LYS A 50 -25.442 -29.984 -7.854 1.00 64.11 C ATOM 758 CD LYS A 50 -24.900 -31.376 -8.161 1.00 23.40 C ATOM 759 CE LYS A 50 -25.458 -32.438 -7.220 1.00 14.31 C ATOM 760 NZ LYS A 50 -25.040 -32.229 -5.808 1.00 52.11 N ATOM 0 H LYS A 50 -29.221 -29.450 -7.038 1.00 4.42 H new ATOM 0 HA LYS A 50 -26.974 -27.857 -7.388 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -27.314 -30.414 -6.912 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -27.332 -30.583 -8.656 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -25.075 -29.278 -8.599 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -25.064 -29.652 -6.887 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -25.146 -31.640 -9.189 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -23.813 -31.364 -8.087 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -26.546 -32.433 -7.277 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -25.126 -33.422 -7.551 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -25.446 -32.978 -5.211 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -24.002 -32.261 -5.745 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -25.379 -31.302 -5.479 1.00 52.11 H new ATOM 774 N LEU A 51 -28.490 -28.673 -10.209 1.00 35.35 N ATOM 775 CA LEU A 51 -28.613 -28.334 -11.623 1.00 23.42 C ATOM 776 C LEU A 51 -28.905 -26.848 -11.814 1.00 5.20 C ATOM 777 O LEU A 51 -28.323 -26.206 -12.678 1.00 63.51 O ATOM 778 CB LEU A 51 -29.727 -29.154 -12.280 1.00 12.31 C ATOM 779 CG LEU A 51 -29.416 -30.634 -12.507 1.00 32.31 C ATOM 780 CD1 LEU A 51 -30.665 -31.371 -12.958 1.00 43.12 C ATOM 781 CD2 LEU A 51 -28.313 -30.799 -13.539 1.00 32.51 C ATOM 0 H LEU A 51 -29.170 -29.359 -9.881 1.00 35.35 H new ATOM 0 HA LEU A 51 -27.660 -28.569 -12.097 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -30.621 -29.080 -11.660 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -29.968 -28.701 -13.242 1.00 12.31 H new ATOM 0 HG LEU A 51 -29.074 -31.060 -11.564 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -30.429 -32.423 -13.116 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -31.436 -31.283 -12.193 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -31.027 -30.937 -13.890 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -28.107 -31.859 -13.685 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -28.630 -30.357 -14.484 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -27.410 -30.299 -13.189 1.00 32.51 H new ATOM 793 N GLU A 52 -29.798 -26.313 -10.986 1.00 71.20 N ATOM 794 CA GLU A 52 -30.214 -24.915 -11.087 1.00 3.31 C ATOM 795 C GLU A 52 -29.040 -23.991 -10.757 1.00 30.12 C ATOM 796 O GLU A 52 -28.854 -22.953 -11.393 1.00 1.51 O ATOM 797 CB GLU A 52 -31.392 -24.666 -10.138 1.00 30.33 C ATOM 798 CG GLU A 52 -32.451 -23.715 -10.681 1.00 23.32 C ATOM 799 CD GLU A 52 -32.001 -22.270 -10.716 1.00 25.24 C ATOM 800 OE1 GLU A 52 -31.567 -21.758 -9.666 1.00 61.13 O ATOM 801 OE2 GLU A 52 -32.112 -21.628 -11.782 1.00 33.02 O ATOM 0 H GLU A 52 -30.251 -26.830 -10.232 1.00 71.20 H new ATOM 0 HA GLU A 52 -30.534 -24.701 -12.107 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -31.864 -25.621 -9.907 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -31.008 -24.265 -9.200 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -32.726 -24.027 -11.689 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -33.348 -23.794 -10.067 1.00 23.32 H new ATOM 808 N GLN A 53 -28.239 -24.387 -9.772 1.00 12.11 N ATOM 809 CA GLN A 53 -27.026 -23.654 -9.434 1.00 42.34 C ATOM 810 C GLN A 53 -26.079 -23.636 -10.630 1.00 43.01 C ATOM 811 O GLN A 53 -25.582 -22.581 -11.028 1.00 50.30 O ATOM 812 CB GLN A 53 -26.343 -24.294 -8.223 1.00 43.04 C ATOM 813 CG GLN A 53 -27.088 -24.081 -6.916 1.00 62.32 C ATOM 814 CD GLN A 53 -26.517 -24.907 -5.780 1.00 34.52 C ATOM 815 OE1 GLN A 53 -25.593 -24.483 -5.088 1.00 70.33 O ATOM 816 NE2 GLN A 53 -27.080 -26.085 -5.567 1.00 33.33 N ATOM 0 H GLN A 53 -28.409 -25.211 -9.195 1.00 12.11 H new ATOM 0 HA GLN A 53 -27.291 -22.627 -9.180 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -26.238 -25.364 -8.400 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -25.337 -23.886 -8.128 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -27.050 -23.025 -6.648 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -28.138 -24.337 -7.055 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -27.845 -26.400 -6.164 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -26.750 -26.678 -4.806 1.00 33.33 H new ATOM 825 N HIS A 54 -25.873 -24.804 -11.237 1.00 11.40 N ATOM 826 CA HIS A 54 -25.037 -24.901 -12.434 1.00 50.22 C ATOM 827 C HIS A 54 -25.653 -24.110 -13.575 1.00 75.33 C ATOM 828 O HIS A 54 -24.947 -23.535 -14.396 1.00 22.05 O ATOM 829 CB HIS A 54 -24.853 -26.355 -12.879 1.00 60.03 C ATOM 830 CG HIS A 54 -24.044 -27.188 -11.938 1.00 0.23 C ATOM 831 ND1 HIS A 54 -24.536 -28.318 -11.334 1.00 44.12 N ATOM 832 CD2 HIS A 54 -22.762 -27.065 -11.514 1.00 72.31 C ATOM 833 CE1 HIS A 54 -23.603 -28.854 -10.581 1.00 21.24 C ATOM 834 NE2 HIS A 54 -22.514 -28.118 -10.668 1.00 73.11 N ATOM 0 H HIS A 54 -26.270 -25.690 -10.923 1.00 11.40 H new ATOM 0 HA HIS A 54 -24.061 -24.488 -12.179 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -25.835 -26.813 -12.999 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -24.374 -26.365 -13.858 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -22.067 -26.286 -11.790 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -23.711 -29.750 -9.988 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -21.633 -28.300 -10.187 1.00 73.11 H new ATOM 843 N ARG A 55 -26.975 -24.087 -13.611 1.00 60.31 N ATOM 844 CA ARG A 55 -27.710 -23.404 -14.659 1.00 40.14 C ATOM 845 C ARG A 55 -27.441 -21.900 -14.616 1.00 43.34 C ATOM 846 O ARG A 55 -27.098 -21.289 -15.632 1.00 3.25 O ATOM 847 CB ARG A 55 -29.208 -23.678 -14.501 1.00 52.11 C ATOM 848 CG ARG A 55 -29.902 -24.080 -15.790 1.00 35.13 C ATOM 849 CD ARG A 55 -29.877 -22.954 -16.804 1.00 61.41 C ATOM 850 NE ARG A 55 -30.513 -23.331 -18.064 1.00 74.14 N ATOM 851 CZ ARG A 55 -31.060 -22.460 -18.911 1.00 14.23 C ATOM 852 NH1 ARG A 55 -31.122 -21.173 -18.592 1.00 74.13 N ATOM 853 NH2 ARG A 55 -31.578 -22.882 -20.058 1.00 52.14 N ATOM 0 H ARG A 55 -27.567 -24.541 -12.915 1.00 60.31 H new ATOM 0 HA ARG A 55 -27.375 -23.782 -15.625 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -29.346 -24.469 -13.764 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.690 -22.785 -14.104 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -29.414 -24.960 -16.209 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -30.934 -24.358 -15.578 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -30.384 -22.083 -16.389 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -28.844 -22.661 -16.994 1.00 61.41 H new ATOM 0 HE ARG A 55 -30.540 -24.320 -18.310 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -30.751 -20.851 -17.698 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -31.541 -20.506 -19.241 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -31.558 -23.875 -20.292 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -31.996 -22.214 -20.705 1.00 52.14 H new ATOM 867 N MET A 56 -27.582 -21.305 -13.434 1.00 5.13 N ATOM 868 CA MET A 56 -27.361 -19.874 -13.285 1.00 13.24 C ATOM 869 C MET A 56 -25.880 -19.534 -13.430 1.00 73.24 C ATOM 870 O MET A 56 -25.539 -18.479 -13.966 1.00 12.14 O ATOM 871 CB MET A 56 -27.923 -19.352 -11.956 1.00 12.34 C ATOM 872 CG MET A 56 -27.235 -19.884 -10.711 1.00 75.15 C ATOM 873 SD MET A 56 -28.011 -19.274 -9.202 1.00 61.02 S ATOM 874 CE MET A 56 -27.924 -17.504 -9.471 1.00 11.14 C ATOM 0 H MET A 56 -27.846 -21.788 -12.575 1.00 5.13 H new ATOM 0 HA MET A 56 -27.903 -19.371 -14.086 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.855 -18.264 -11.953 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.982 -19.605 -11.903 1.00 12.34 H new ATOM 0 HG2 MET A 56 -27.262 -20.974 -10.719 1.00 75.15 H new ATOM 0 HG3 MET A 56 -26.185 -19.591 -10.723 1.00 75.15 H new ATOM 0 HE1 MET A 56 -27.810 -16.996 -8.514 1.00 11.14 H new ATOM 0 HE2 MET A 56 -27.070 -17.274 -10.108 1.00 11.14 H new ATOM 0 HE3 MET A 56 -28.839 -17.164 -9.955 1.00 11.14 H new ATOM 884 N ILE A 57 -25.000 -20.433 -12.986 1.00 55.45 N ATOM 885 CA ILE A 57 -23.568 -20.254 -13.216 1.00 13.21 C ATOM 886 C ILE A 57 -23.280 -20.269 -14.719 1.00 34.43 C ATOM 887 O ILE A 57 -22.524 -19.439 -15.234 1.00 62.10 O ATOM 888 CB ILE A 57 -22.722 -21.339 -12.503 1.00 42.03 C ATOM 889 CG1 ILE A 57 -22.857 -21.197 -10.983 1.00 2.03 C ATOM 890 CG2 ILE A 57 -21.259 -21.239 -12.916 1.00 32.31 C ATOM 891 CD1 ILE A 57 -22.121 -22.264 -10.199 1.00 2.10 C ATOM 0 H ILE A 57 -25.249 -21.279 -12.473 1.00 55.45 H new ATOM 0 HA ILE A 57 -23.283 -19.290 -12.794 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.095 -22.319 -12.801 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -22.483 -20.218 -10.685 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -23.914 -21.229 -10.717 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -20.683 -22.010 -12.404 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -21.175 -21.379 -13.994 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -20.871 -20.257 -12.646 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -22.264 -22.095 -9.132 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.511 -23.246 -10.467 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -21.057 -22.219 -10.434 1.00 2.10 H new ATOM 903 N TYR A 58 -23.915 -21.205 -15.418 1.00 15.22 N ATOM 904 CA TYR A 58 -23.798 -21.297 -16.865 1.00 4.35 C ATOM 905 C TYR A 58 -24.319 -20.030 -17.537 1.00 73.40 C ATOM 906 O TYR A 58 -23.776 -19.593 -18.542 1.00 43.54 O ATOM 907 CB TYR A 58 -24.551 -22.526 -17.391 1.00 3.41 C ATOM 908 CG TYR A 58 -24.632 -22.587 -18.900 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.482 -22.576 -19.679 1.00 21.34 C ATOM 910 CD2 TYR A 58 -25.861 -22.642 -19.546 1.00 0.24 C ATOM 911 CE1 TYR A 58 -23.554 -22.615 -21.058 1.00 75.23 C ATOM 912 CE2 TYR A 58 -25.941 -22.686 -20.923 1.00 44.13 C ATOM 913 CZ TYR A 58 -24.787 -22.669 -21.673 1.00 54.23 C ATOM 914 OH TYR A 58 -24.869 -22.701 -23.046 1.00 40.03 O ATOM 0 H TYR A 58 -24.519 -21.913 -15.000 1.00 15.22 H new ATOM 0 HA TYR A 58 -22.741 -21.404 -17.110 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -24.059 -23.427 -17.025 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -25.561 -22.526 -16.981 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -22.516 -22.536 -19.199 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -26.769 -22.650 -18.961 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -22.651 -22.603 -21.650 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -26.904 -22.734 -21.410 1.00 44.13 H new ATOM 0 HH TYR A 58 -25.810 -22.739 -23.317 1.00 40.03 H new ATOM 924 N LYS A 59 -25.373 -19.444 -16.993 1.00 73.42 N ATOM 925 CA LYS A 59 -25.908 -18.212 -17.556 1.00 51.11 C ATOM 926 C LYS A 59 -24.964 -17.026 -17.361 1.00 44.10 C ATOM 927 O LYS A 59 -24.711 -16.270 -18.299 1.00 22.41 O ATOM 928 CB LYS A 59 -27.272 -17.879 -16.958 1.00 13.12 C ATOM 929 CG LYS A 59 -28.421 -18.688 -17.541 1.00 73.15 C ATOM 930 CD LYS A 59 -28.437 -18.640 -19.068 1.00 61.04 C ATOM 931 CE LYS A 59 -28.305 -17.220 -19.614 1.00 2.45 C ATOM 932 NZ LYS A 59 -29.403 -16.323 -19.168 1.00 73.34 N ATOM 0 H LYS A 59 -25.870 -19.794 -16.174 1.00 73.42 H new ATOM 0 HA LYS A 59 -26.016 -18.387 -18.626 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -27.235 -18.045 -15.881 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -27.474 -16.819 -17.110 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -28.339 -19.724 -17.212 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -29.366 -18.305 -17.156 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -27.622 -19.251 -19.455 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -29.366 -19.080 -19.432 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -27.350 -16.802 -19.297 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -28.291 -17.255 -20.703 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -29.270 -15.379 -19.583 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -30.316 -16.712 -19.478 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -29.392 -16.250 -18.131 1.00 73.34 H new ATOM 946 N VAL A 60 -24.441 -16.864 -16.152 1.00 40.42 N ATOM 947 CA VAL A 60 -23.644 -15.684 -15.830 1.00 13.04 C ATOM 948 C VAL A 60 -22.241 -15.745 -16.451 1.00 62.12 C ATOM 949 O VAL A 60 -21.713 -14.726 -16.900 1.00 21.20 O ATOM 950 CB VAL A 60 -23.549 -15.452 -14.299 1.00 40.25 C ATOM 951 CG1 VAL A 60 -22.872 -16.619 -13.597 1.00 54.03 C ATOM 952 CG2 VAL A 60 -22.824 -14.150 -13.995 1.00 74.32 C ATOM 0 H VAL A 60 -24.552 -17.527 -15.384 1.00 40.42 H new ATOM 0 HA VAL A 60 -24.166 -14.834 -16.270 1.00 13.04 H new ATOM 0 HB VAL A 60 -24.566 -15.380 -13.914 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -22.823 -16.421 -12.526 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -23.444 -17.530 -13.772 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -21.863 -16.743 -13.989 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -22.769 -14.008 -12.916 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -21.816 -14.190 -14.408 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -23.367 -13.318 -14.443 1.00 74.32 H new ATOM 962 N LEU A 61 -21.646 -16.929 -16.510 1.00 32.20 N ATOM 963 CA LEU A 61 -20.279 -17.054 -17.012 1.00 23.13 C ATOM 964 C LEU A 61 -20.228 -17.669 -18.406 1.00 43.05 C ATOM 965 O LEU A 61 -19.234 -17.502 -19.117 1.00 70.44 O ATOM 966 CB LEU A 61 -19.429 -17.897 -16.056 1.00 21.35 C ATOM 967 CG LEU A 61 -19.181 -17.283 -14.678 1.00 63.31 C ATOM 968 CD1 LEU A 61 -18.278 -18.182 -13.852 1.00 14.42 C ATOM 969 CD2 LEU A 61 -18.571 -15.898 -14.814 1.00 52.20 C ATOM 0 H LEU A 61 -22.079 -17.807 -16.222 1.00 32.20 H new ATOM 0 HA LEU A 61 -19.875 -16.043 -17.074 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -19.915 -18.863 -15.921 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -18.465 -18.088 -16.528 1.00 21.35 H new ATOM 0 HG LEU A 61 -20.138 -17.189 -14.165 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -18.111 -17.731 -12.874 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -18.751 -19.156 -13.726 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -17.323 -18.306 -14.362 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -18.401 -15.476 -13.823 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -17.622 -15.969 -15.346 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -19.251 -15.254 -15.371 1.00 52.20 H new ATOM 981 N ASP A 62 -21.302 -18.357 -18.799 1.00 51.31 N ATOM 982 CA ASP A 62 -21.315 -19.161 -20.027 1.00 11.45 C ATOM 983 C ASP A 62 -20.171 -20.164 -19.990 1.00 35.13 C ATOM 984 O ASP A 62 -19.142 -19.995 -20.650 1.00 45.22 O ATOM 985 CB ASP A 62 -21.238 -18.286 -21.287 1.00 14.42 C ATOM 986 CG ASP A 62 -21.311 -19.098 -22.573 1.00 30.25 C ATOM 987 OD1 ASP A 62 -22.423 -19.522 -22.956 1.00 3.33 O ATOM 988 OD2 ASP A 62 -20.259 -19.311 -23.213 1.00 64.21 O ATOM 0 H ASP A 62 -22.181 -18.374 -18.282 1.00 51.31 H new ATOM 0 HA ASP A 62 -22.263 -19.697 -20.074 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -22.053 -17.563 -21.272 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -20.308 -17.718 -21.273 1.00 14.42 H new ATOM 993 N GLY A 63 -20.342 -21.198 -19.184 1.00 4.15 N ATOM 994 CA GLY A 63 -19.268 -22.132 -18.959 1.00 43.43 C ATOM 995 C GLY A 63 -19.684 -23.572 -19.138 1.00 33.13 C ATOM 996 O GLY A 63 -20.170 -24.211 -18.204 1.00 43.24 O ATOM 0 H GLY A 63 -21.206 -21.405 -18.683 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -18.451 -21.909 -19.645 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -18.882 -21.995 -17.949 1.00 43.43 H new ATOM 1000 N LEU A 64 -19.504 -24.083 -20.346 1.00 51.34 N ATOM 1001 CA LEU A 64 -19.649 -25.511 -20.596 1.00 3.45 C ATOM 1002 C LEU A 64 -18.354 -26.221 -20.217 1.00 42.35 C ATOM 1003 O LEU A 64 -18.239 -27.446 -20.300 1.00 0.34 O ATOM 1004 CB LEU A 64 -20.001 -25.771 -22.063 1.00 54.54 C ATOM 1005 CG LEU A 64 -21.398 -25.306 -22.484 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -21.616 -25.545 -23.969 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -22.464 -26.025 -21.668 1.00 63.23 C ATOM 0 H LEU A 64 -19.258 -23.532 -21.168 1.00 51.34 H new ATOM 0 HA LEU A 64 -20.464 -25.902 -19.986 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -19.263 -25.273 -22.692 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -19.916 -26.840 -22.258 1.00 54.54 H new ATOM 0 HG LEU A 64 -21.477 -24.236 -22.293 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -22.614 -25.208 -24.249 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -20.872 -24.989 -24.540 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -21.518 -26.609 -24.184 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -23.452 -25.684 -21.979 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -22.383 -27.100 -21.831 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -22.321 -25.807 -20.610 1.00 63.23 H new ATOM 1019 N ASN A 65 -17.380 -25.420 -19.811 1.00 64.21 N ATOM 1020 CA ASN A 65 -16.119 -25.920 -19.293 1.00 60.20 C ATOM 1021 C ASN A 65 -16.239 -26.083 -17.784 1.00 64.31 C ATOM 1022 O ASN A 65 -16.277 -25.098 -17.046 1.00 34.35 O ATOM 1023 CB ASN A 65 -14.988 -24.944 -19.646 1.00 11.43 C ATOM 1024 CG ASN A 65 -13.600 -25.476 -19.329 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -13.406 -26.260 -18.400 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -12.619 -25.034 -20.100 1.00 54.41 N ATOM 0 H ASN A 65 -17.444 -24.402 -19.832 1.00 64.21 H new ATOM 0 HA ASN A 65 -15.886 -26.886 -19.741 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -15.043 -24.708 -20.709 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -15.143 -24.011 -19.103 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -11.661 -25.343 -19.934 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -12.821 -24.385 -20.860 1.00 54.41 H new ATOM 1033 N ILE A 66 -16.329 -27.326 -17.335 1.00 12.30 N ATOM 1034 CA ILE A 66 -16.565 -27.616 -15.929 1.00 41.44 C ATOM 1035 C ILE A 66 -15.332 -27.336 -15.064 1.00 2.50 C ATOM 1036 O ILE A 66 -14.507 -28.214 -14.818 1.00 31.11 O ATOM 1037 CB ILE A 66 -17.044 -29.071 -15.719 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -16.155 -30.056 -16.489 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -18.496 -29.213 -16.149 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -16.539 -31.508 -16.297 1.00 65.41 C ATOM 0 H ILE A 66 -16.242 -28.152 -17.926 1.00 12.30 H new ATOM 0 HA ILE A 66 -17.358 -26.941 -15.608 1.00 41.44 H new ATOM 0 HB ILE A 66 -16.969 -29.308 -14.658 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -16.199 -29.816 -17.551 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -15.120 -29.919 -16.174 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -18.822 -30.242 -15.996 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -19.118 -28.543 -15.555 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -18.590 -28.955 -17.204 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -15.865 -32.142 -16.873 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -16.467 -31.767 -15.241 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -17.562 -31.662 -16.639 1.00 65.41 H new ATOM 1052 N HIS A 67 -15.210 -26.088 -14.632 1.00 15.31 N ATOM 1053 CA HIS A 67 -14.142 -25.666 -13.732 1.00 41.12 C ATOM 1054 C HIS A 67 -14.633 -24.554 -12.814 1.00 13.15 C ATOM 1055 O HIS A 67 -14.663 -23.385 -13.204 1.00 11.25 O ATOM 1056 CB HIS A 67 -12.911 -25.188 -14.515 1.00 61.24 C ATOM 1057 CG HIS A 67 -11.990 -26.294 -14.941 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -11.938 -26.785 -16.229 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -11.073 -26.999 -14.237 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -11.032 -27.742 -16.295 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -10.495 -27.889 -15.102 1.00 5.34 N ATOM 0 H HIS A 67 -15.849 -25.338 -14.895 1.00 15.31 H new ATOM 0 HA HIS A 67 -13.853 -26.528 -13.131 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -13.244 -24.646 -15.400 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -12.354 -24.482 -13.900 1.00 61.24 H new ATOM 0 HD1 HIS A 67 -12.510 -26.459 -17.008 1.00 61.32 H new ATOM 0 HD2 HIS A 67 -10.841 -26.881 -13.189 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -10.775 -28.308 -17.178 1.00 43.30 H new ATOM 1070 N ALA A 68 -15.033 -24.917 -11.602 1.00 1.04 N ATOM 1071 CA ALA A 68 -15.514 -23.939 -10.638 1.00 21.21 C ATOM 1072 C ALA A 68 -14.353 -23.207 -9.976 1.00 64.03 C ATOM 1073 O ALA A 68 -14.017 -23.456 -8.819 1.00 11.40 O ATOM 1074 CB ALA A 68 -16.394 -24.602 -9.588 1.00 11.23 C ATOM 0 H ALA A 68 -15.034 -25.880 -11.265 1.00 1.04 H new ATOM 0 HA ALA A 68 -16.115 -23.206 -11.177 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -16.742 -23.851 -8.878 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -17.252 -25.067 -10.073 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -15.819 -25.363 -9.059 1.00 11.23 H new ATOM 1080 N ILE A 69 -13.721 -22.329 -10.737 1.00 52.42 N ATOM 1081 CA ILE A 69 -12.621 -21.526 -10.225 1.00 0.05 C ATOM 1082 C ILE A 69 -12.878 -20.042 -10.490 1.00 34.51 C ATOM 1083 O ILE A 69 -12.512 -19.186 -9.687 1.00 0.24 O ATOM 1084 CB ILE A 69 -11.264 -21.963 -10.842 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -10.110 -21.139 -10.263 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -11.288 -21.854 -12.361 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -9.918 -21.324 -8.772 1.00 43.35 C ATOM 0 H ILE A 69 -13.951 -22.153 -11.715 1.00 52.42 H new ATOM 0 HA ILE A 69 -12.562 -21.686 -9.148 1.00 0.05 H new ATOM 0 HB ILE A 69 -11.104 -23.009 -10.581 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -9.188 -21.412 -10.776 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -10.289 -20.084 -10.469 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -10.324 -22.167 -12.763 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -12.073 -22.496 -12.760 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -11.483 -20.821 -12.649 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -9.084 -20.710 -8.434 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -10.826 -21.024 -8.248 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -9.707 -22.372 -8.560 1.00 43.35 H new ATOM 1099 N GLN A 70 -13.540 -19.750 -11.607 1.00 62.22 N ATOM 1100 CA GLN A 70 -13.876 -18.376 -11.966 1.00 45.13 C ATOM 1101 C GLN A 70 -15.102 -17.908 -11.180 1.00 54.23 C ATOM 1102 O GLN A 70 -15.396 -16.717 -11.102 1.00 20.23 O ATOM 1103 CB GLN A 70 -14.122 -18.277 -13.478 1.00 3.32 C ATOM 1104 CG GLN A 70 -14.386 -16.863 -13.975 1.00 45.50 C ATOM 1105 CD GLN A 70 -14.451 -16.780 -15.486 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -13.779 -17.532 -16.192 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -15.259 -15.866 -15.994 1.00 43.43 N ATOM 0 H GLN A 70 -13.855 -20.449 -12.280 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.041 -17.724 -11.709 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -13.255 -18.679 -14.003 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -14.973 -18.907 -13.739 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -15.325 -16.503 -13.554 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -13.600 -16.201 -13.612 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -15.799 -15.262 -15.375 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -15.342 -15.765 -17.006 1.00 43.43 H new ATOM 1116 N ILE A 71 -15.800 -18.861 -10.579 1.00 33.52 N ATOM 1117 CA ILE A 71 -16.973 -18.566 -9.775 1.00 32.34 C ATOM 1118 C ILE A 71 -16.838 -19.217 -8.398 1.00 21.45 C ATOM 1119 O ILE A 71 -16.433 -20.377 -8.286 1.00 21.34 O ATOM 1120 CB ILE A 71 -18.271 -19.051 -10.473 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -19.507 -18.696 -9.641 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -18.222 -20.549 -10.742 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -19.754 -17.208 -9.521 1.00 61.50 C ATOM 0 H ILE A 71 -15.570 -19.853 -10.635 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.041 -17.485 -9.657 1.00 32.34 H new ATOM 0 HB ILE A 71 -18.343 -18.536 -11.431 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -20.383 -19.165 -10.089 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.395 -19.118 -8.642 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -19.144 -20.861 -11.232 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -17.374 -20.775 -11.388 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -18.113 -21.085 -9.799 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -20.645 -17.035 -8.918 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -18.896 -16.734 -9.044 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -19.899 -16.782 -10.514 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.142 -18.460 -7.355 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.085 -18.981 -6.003 1.00 11.31 C ATOM 1137 C GLN A 72 -18.398 -18.716 -5.279 1.00 41.51 C ATOM 1138 O GLN A 72 -18.723 -17.572 -4.939 1.00 30.42 O ATOM 1139 CB GLN A 72 -15.917 -18.360 -5.233 1.00 73.05 C ATOM 1140 CG GLN A 72 -15.671 -19.017 -3.885 1.00 75.12 C ATOM 1141 CD GLN A 72 -15.302 -20.483 -4.014 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -16.170 -21.357 -4.033 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -14.011 -20.766 -4.098 1.00 23.21 N ATOM 0 H GLN A 72 -17.430 -17.484 -7.421 1.00 4.42 H new ATOM 0 HA GLN A 72 -16.926 -20.058 -6.056 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -15.012 -18.434 -5.836 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.113 -17.299 -5.082 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -14.871 -18.488 -3.367 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -16.566 -18.923 -3.270 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -13.322 -20.014 -4.079 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -13.706 -21.736 -4.182 1.00 23.21 H new ATOM 1152 N THR A 73 -19.154 -19.780 -5.063 1.00 51.10 N ATOM 1153 CA THR A 73 -20.430 -19.697 -4.371 1.00 71.51 C ATOM 1154 C THR A 73 -20.615 -20.913 -3.473 1.00 31.34 C ATOM 1155 O THR A 73 -20.621 -22.048 -3.953 1.00 0.24 O ATOM 1156 CB THR A 73 -21.603 -19.622 -5.373 1.00 1.24 C ATOM 1157 OG1 THR A 73 -21.469 -20.660 -6.353 1.00 14.45 O ATOM 1158 CG2 THR A 73 -21.658 -18.266 -6.064 1.00 60.22 C ATOM 0 H THR A 73 -18.902 -20.722 -5.361 1.00 51.10 H new ATOM 0 HA THR A 73 -20.426 -18.789 -3.769 1.00 71.51 H new ATOM 0 HB THR A 73 -22.531 -19.756 -4.818 1.00 1.24 H new ATOM 0 HG1 THR A 73 -21.070 -21.453 -5.937 1.00 14.45 H new ATOM 0 HG21 THR A 73 -22.495 -18.247 -6.762 1.00 60.22 H new ATOM 0 HG22 THR A 73 -21.790 -17.483 -5.318 1.00 60.22 H new ATOM 0 HG23 THR A 73 -20.728 -18.096 -6.607 1.00 60.22 H new ATOM 1166 N GLY A 74 -20.761 -20.679 -2.179 1.00 12.20 N ATOM 1167 CA GLY A 74 -20.946 -21.770 -1.246 1.00 10.41 C ATOM 1168 C GLY A 74 -20.986 -21.286 0.184 1.00 15.25 C ATOM 1169 O GLY A 74 -20.921 -20.080 0.436 1.00 44.31 O ATOM 0 H GLY A 74 -20.755 -19.751 -1.757 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -21.873 -22.293 -1.478 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -20.136 -22.490 -1.363 1.00 10.41 H new ATOM 1173 N CYS A 75 -21.089 -22.216 1.121 1.00 41.31 N ATOM 1174 CA CYS A 75 -21.147 -21.875 2.531 1.00 31.41 C ATOM 1175 C CYS A 75 -20.091 -22.650 3.311 1.00 22.14 C ATOM 1176 O CYS A 75 -20.059 -23.879 3.279 1.00 42.21 O ATOM 1177 CB CYS A 75 -22.543 -22.169 3.081 1.00 54.21 C ATOM 1178 SG CYS A 75 -22.757 -21.738 4.823 1.00 1.04 S ATOM 0 H CYS A 75 -21.134 -23.216 0.927 1.00 41.31 H new ATOM 0 HA CYS A 75 -20.942 -20.811 2.645 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -23.277 -21.622 2.490 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -22.757 -23.230 2.952 1.00 54.21 H new ATOM 0 HG CYS A 75 -23.970 -22.022 5.194 1.00 1.04 H new ATOM 1184 N LYS A 76 -19.221 -21.926 3.998 1.00 72.44 N ATOM 1185 CA LYS A 76 -18.156 -22.542 4.775 1.00 24.13 C ATOM 1186 C LYS A 76 -17.846 -21.686 5.997 1.00 65.44 C ATOM 1187 O LYS A 76 -17.118 -20.684 5.849 1.00 51.21 O ATOM 1188 CB LYS A 76 -16.901 -22.716 3.911 1.00 54.32 C ATOM 1189 CG LYS A 76 -15.750 -23.414 4.621 1.00 62.33 C ATOM 1190 CD LYS A 76 -16.085 -24.858 4.965 1.00 31.01 C ATOM 1191 CE LYS A 76 -14.921 -25.541 5.667 1.00 51.33 C ATOM 1192 NZ LYS A 76 -15.197 -26.977 5.938 1.00 72.41 N ATOM 1193 OXT LYS A 76 -18.341 -22.008 7.095 1.00 0.00 O ATOM 0 H LYS A 76 -19.232 -20.907 4.033 1.00 72.44 H new ATOM 0 HA LYS A 76 -18.483 -23.527 5.109 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -17.163 -23.286 3.019 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -16.565 -21.735 3.575 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -14.864 -23.388 3.987 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -15.504 -22.871 5.534 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -16.967 -24.887 5.605 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -16.334 -25.403 4.055 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -14.025 -25.454 5.052 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -14.713 -25.028 6.606 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -14.378 -27.403 6.417 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -16.036 -27.060 6.546 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -15.370 -27.473 5.040 1.00 72.41 H new TER 1207 LYS A 76