USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 594 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 31 THR OG1 : rot -9:sc= 0.946 USER MOD Set 1.2: A 37 GLN : amide:sc= -1.19 K(o=-0.24,f=-1.7) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0.0122 USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.089 X(o=-0.077,f=0.012) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00821 USER MOD Single : A 6 SER OG : rot 180:sc= -0.13 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.956 K(o=-0.96,f=-3.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.03! K(o=-2!,f=-1) USER MOD Single : A 33 ASN : amide:sc= -2.15! C(o=-2.2!,f=-4.5!) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0.218 (180deg=0.217) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 45 ASN : amide:sc= -1 X(o=-1,f=-0.63) USER MOD Single : A 46 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.12) USER MOD Single : A 48 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= 1.23 (180deg=0.87) USER MOD Single : A 59 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.084) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0485 (180deg=-0.261) USER MOD Single : A 67 ASN : amide:sc= 1.3 K(o=1.3,f=-0.97) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.137 1.213 -1.369 1.00 11.32 N ATOM 2 CA LYS A 1 -16.984 0.142 -0.839 1.00 22.41 C ATOM 3 C LYS A 1 -16.147 -0.972 -0.234 1.00 24.03 C ATOM 4 O LYS A 1 -15.594 -1.804 -0.959 1.00 21.15 O ATOM 5 CB LYS A 1 -17.900 -0.455 -1.927 1.00 52.45 C ATOM 6 CG LYS A 1 -18.935 0.494 -2.493 1.00 22.42 C ATOM 7 CD LYS A 1 -19.838 -0.217 -3.499 1.00 32.24 C ATOM 8 CE LYS A 1 -20.608 -1.378 -2.857 1.00 61.50 C ATOM 9 NZ LYS A 1 -21.552 -2.020 -3.799 1.00 24.22 N ATOM 0 H1 LYS A 1 -16.736 1.960 -1.776 1.00 11.32 H new ATOM 0 H2 LYS A 1 -15.560 1.612 -0.601 1.00 11.32 H new ATOM 0 H3 LYS A 1 -15.513 0.829 -2.107 1.00 11.32 H new ATOM 0 HA LYS A 1 -17.604 0.593 -0.064 1.00 22.41 H new ATOM 0 HB2 LYS A 1 -17.277 -0.817 -2.745 1.00 52.45 H new ATOM 0 HB3 LYS A 1 -18.414 -1.321 -1.511 1.00 52.45 H new ATOM 0 HG2 LYS A 1 -19.539 0.904 -1.683 1.00 22.42 H new ATOM 0 HG3 LYS A 1 -18.437 1.334 -2.977 1.00 22.42 H new ATOM 0 HD2 LYS A 1 -20.545 0.498 -3.921 1.00 32.24 H new ATOM 0 HD3 LYS A 1 -19.235 -0.594 -4.325 1.00 32.24 H new ATOM 0 HE2 LYS A 1 -19.900 -2.122 -2.493 1.00 61.50 H new ATOM 0 HE3 LYS A 1 -21.158 -1.010 -1.990 1.00 61.50 H new ATOM 0 HZ1 LYS A 1 -22.047 -2.798 -3.318 1.00 24.22 H new ATOM 0 HZ2 LYS A 1 -22.246 -1.318 -4.128 1.00 24.22 H new ATOM 0 HZ3 LYS A 1 -21.027 -2.396 -4.614 1.00 24.22 H new ATOM 25 N PRO A 2 -16.007 -0.999 1.094 1.00 51.32 N ATOM 26 CA PRO A 2 -15.302 -2.066 1.771 1.00 12.51 C ATOM 27 C PRO A 2 -16.155 -3.329 1.799 1.00 32.21 C ATOM 28 O PRO A 2 -16.988 -3.517 2.688 1.00 44.32 O ATOM 29 CB PRO A 2 -15.065 -1.542 3.200 1.00 14.35 C ATOM 30 CG PRO A 2 -15.579 -0.133 3.209 1.00 21.23 C ATOM 31 CD PRO A 2 -16.508 0.004 2.036 1.00 74.32 C ATOM 0 HA PRO A 2 -14.369 -2.326 1.271 1.00 12.51 H new ATOM 0 HB2 PRO A 2 -15.590 -2.154 3.933 1.00 14.35 H new ATOM 0 HB3 PRO A 2 -14.006 -1.574 3.458 1.00 14.35 H new ATOM 0 HG2 PRO A 2 -16.101 0.081 4.141 1.00 21.23 H new ATOM 0 HG3 PRO A 2 -14.756 0.578 3.134 1.00 21.23 H new ATOM 0 HD2 PRO A 2 -17.543 -0.189 2.317 1.00 74.32 H new ATOM 0 HD3 PRO A 2 -16.475 1.007 1.611 1.00 74.32 H new ATOM 39 N VAL A 3 -16.001 -4.139 0.795 1.00 52.12 N ATOM 40 CA VAL A 3 -16.765 -5.357 0.674 1.00 73.21 C ATOM 41 C VAL A 3 -15.846 -6.552 0.671 1.00 53.13 C ATOM 42 O VAL A 3 -14.719 -6.479 0.168 1.00 21.44 O ATOM 43 CB VAL A 3 -17.663 -5.364 -0.600 1.00 74.21 C ATOM 44 CG1 VAL A 3 -18.702 -4.259 -0.525 1.00 4.23 C ATOM 45 CG2 VAL A 3 -16.827 -5.208 -1.868 1.00 70.25 C ATOM 0 H VAL A 3 -15.343 -3.979 0.032 1.00 52.12 H new ATOM 0 HA VAL A 3 -17.427 -5.412 1.538 1.00 73.21 H new ATOM 0 HB VAL A 3 -18.171 -6.328 -0.642 1.00 74.21 H new ATOM 0 HG11 VAL A 3 -19.320 -4.279 -1.423 1.00 4.23 H new ATOM 0 HG12 VAL A 3 -19.331 -4.410 0.352 1.00 4.23 H new ATOM 0 HG13 VAL A 3 -18.202 -3.294 -0.450 1.00 4.23 H new ATOM 0 HG21 VAL A 3 -17.482 -5.217 -2.739 1.00 70.25 H new ATOM 0 HG22 VAL A 3 -16.284 -4.264 -1.832 1.00 70.25 H new ATOM 0 HG23 VAL A 3 -16.117 -6.032 -1.940 1.00 70.25 H new ATOM 55 N SER A 4 -16.300 -7.635 1.229 1.00 20.21 N ATOM 56 CA SER A 4 -15.510 -8.823 1.304 1.00 22.33 C ATOM 57 C SER A 4 -15.970 -9.829 0.264 1.00 31.11 C ATOM 58 O SER A 4 -17.053 -10.389 0.373 1.00 62.42 O ATOM 59 CB SER A 4 -15.614 -9.439 2.701 1.00 62.23 C ATOM 60 OG SER A 4 -15.241 -8.494 3.701 1.00 70.51 O ATOM 0 H SER A 4 -17.228 -7.717 1.644 1.00 20.21 H new ATOM 0 HA SER A 4 -14.471 -8.560 1.107 1.00 22.33 H new ATOM 0 HB2 SER A 4 -16.634 -9.779 2.878 1.00 62.23 H new ATOM 0 HB3 SER A 4 -14.970 -10.316 2.765 1.00 62.23 H new ATOM 0 HG SER A 4 -15.316 -8.908 4.586 1.00 70.51 H new ATOM 66 N LEU A 5 -15.178 -10.016 -0.766 1.00 52.14 N ATOM 67 CA LEU A 5 -15.470 -11.049 -1.737 1.00 72.11 C ATOM 68 C LEU A 5 -14.973 -12.355 -1.165 1.00 43.53 C ATOM 69 O LEU A 5 -15.746 -13.266 -0.856 1.00 75.44 O ATOM 70 CB LEU A 5 -14.768 -10.768 -3.073 1.00 31.43 C ATOM 71 CG LEU A 5 -14.977 -11.803 -4.186 1.00 0.04 C ATOM 72 CD1 LEU A 5 -16.437 -11.882 -4.604 1.00 2.52 C ATOM 73 CD2 LEU A 5 -14.081 -11.503 -5.377 1.00 2.30 C ATOM 0 H LEU A 5 -14.335 -9.474 -0.954 1.00 52.14 H new ATOM 0 HA LEU A 5 -16.542 -11.083 -1.932 1.00 72.11 H new ATOM 0 HB2 LEU A 5 -15.107 -9.799 -3.440 1.00 31.43 H new ATOM 0 HB3 LEU A 5 -13.698 -10.681 -2.885 1.00 31.43 H new ATOM 0 HG LEU A 5 -14.698 -12.779 -3.790 1.00 0.04 H new ATOM 0 HD11 LEU A 5 -16.550 -12.625 -5.394 1.00 2.52 H new ATOM 0 HD12 LEU A 5 -17.046 -12.169 -3.747 1.00 2.52 H new ATOM 0 HD13 LEU A 5 -16.763 -10.909 -4.971 1.00 2.52 H new ATOM 0 HD21 LEU A 5 -14.246 -12.250 -6.154 1.00 2.30 H new ATOM 0 HD22 LEU A 5 -14.316 -10.513 -5.769 1.00 2.30 H new ATOM 0 HD23 LEU A 5 -13.037 -11.531 -5.063 1.00 2.30 H new ATOM 85 N SER A 6 -13.680 -12.422 -1.009 1.00 51.12 N ATOM 86 CA SER A 6 -12.991 -13.542 -0.435 1.00 45.15 C ATOM 87 C SER A 6 -11.647 -13.032 0.053 1.00 74.24 C ATOM 88 O SER A 6 -10.808 -12.613 -0.754 1.00 51.21 O ATOM 89 CB SER A 6 -12.789 -14.642 -1.493 1.00 4.22 C ATOM 90 OG SER A 6 -14.043 -15.075 -2.017 1.00 5.15 O ATOM 0 H SER A 6 -13.054 -11.668 -1.290 1.00 51.12 H new ATOM 0 HA SER A 6 -13.565 -13.973 0.385 1.00 45.15 H new ATOM 0 HB2 SER A 6 -12.162 -14.265 -2.301 1.00 4.22 H new ATOM 0 HB3 SER A 6 -12.263 -15.488 -1.050 1.00 4.22 H new ATOM 0 HG SER A 6 -13.893 -15.773 -2.689 1.00 5.15 H new ATOM 96 N TYR A 7 -11.447 -13.002 1.351 1.00 22.03 N ATOM 97 CA TYR A 7 -10.221 -12.509 1.872 1.00 74.32 C ATOM 98 C TYR A 7 -9.076 -13.470 1.873 1.00 74.35 C ATOM 99 O TYR A 7 -8.788 -14.167 2.845 1.00 11.43 O ATOM 100 CB TYR A 7 -10.350 -11.686 3.122 1.00 33.40 C ATOM 101 CG TYR A 7 -10.737 -10.263 2.820 1.00 71.23 C ATOM 102 CD1 TYR A 7 -9.971 -9.524 1.938 1.00 25.45 C ATOM 103 CD2 TYR A 7 -11.811 -9.643 3.428 1.00 34.53 C ATOM 104 CE1 TYR A 7 -10.256 -8.217 1.656 1.00 51.14 C ATOM 105 CE2 TYR A 7 -12.116 -8.318 3.144 1.00 41.02 C ATOM 106 CZ TYR A 7 -11.330 -7.611 2.258 1.00 73.43 C ATOM 107 OH TYR A 7 -11.624 -6.298 1.963 1.00 22.41 O ATOM 0 H TYR A 7 -12.121 -13.314 2.050 1.00 22.03 H new ATOM 0 HA TYR A 7 -9.922 -11.788 1.111 1.00 74.32 H new ATOM 0 HB2 TYR A 7 -11.098 -12.134 3.776 1.00 33.40 H new ATOM 0 HB3 TYR A 7 -9.404 -11.698 3.664 1.00 33.40 H new ATOM 0 HD1 TYR A 7 -9.124 -9.992 1.458 1.00 25.45 H new ATOM 0 HD2 TYR A 7 -12.419 -10.193 4.131 1.00 34.53 H new ATOM 0 HE1 TYR A 7 -9.639 -7.664 0.963 1.00 51.14 H new ATOM 0 HE2 TYR A 7 -12.964 -7.844 3.615 1.00 41.02 H new ATOM 0 HH TYR A 7 -12.414 -6.018 2.471 1.00 22.41 H new ATOM 117 N ARG A 8 -8.469 -13.507 0.736 1.00 30.21 N ATOM 118 CA ARG A 8 -7.277 -14.275 0.444 1.00 32.41 C ATOM 119 C ARG A 8 -6.065 -13.361 0.569 1.00 73.44 C ATOM 120 O ARG A 8 -4.921 -13.804 0.744 1.00 33.40 O ATOM 121 CB ARG A 8 -7.404 -14.782 -0.986 1.00 13.11 C ATOM 122 CG ARG A 8 -7.658 -13.640 -1.972 1.00 43.24 C ATOM 123 CD ARG A 8 -7.928 -14.110 -3.359 1.00 42.21 C ATOM 124 NE ARG A 8 -6.788 -14.818 -3.954 1.00 42.25 N ATOM 125 CZ ARG A 8 -6.794 -15.404 -5.155 1.00 51.21 C ATOM 126 NH1 ARG A 8 -7.894 -15.383 -5.910 1.00 74.50 N ATOM 127 NH2 ARG A 8 -5.704 -16.020 -5.595 1.00 73.33 N ATOM 0 H ARG A 8 -8.800 -12.976 -0.070 1.00 30.21 H new ATOM 0 HA ARG A 8 -7.160 -15.112 1.132 1.00 32.41 H new ATOM 0 HB2 ARG A 8 -6.492 -15.309 -1.267 1.00 13.11 H new ATOM 0 HB3 ARG A 8 -8.220 -15.502 -1.045 1.00 13.11 H new ATOM 0 HG2 ARG A 8 -8.506 -13.050 -1.624 1.00 43.24 H new ATOM 0 HG3 ARG A 8 -6.792 -12.978 -1.982 1.00 43.24 H new ATOM 0 HD2 ARG A 8 -8.795 -14.770 -3.351 1.00 42.21 H new ATOM 0 HD3 ARG A 8 -8.184 -13.254 -3.984 1.00 42.21 H new ATOM 0 HE ARG A 8 -5.927 -14.866 -3.410 1.00 42.25 H new ATOM 0 HH11 ARG A 8 -8.736 -14.918 -5.571 1.00 74.50 H new ATOM 0 HH12 ARG A 8 -7.893 -15.832 -6.826 1.00 74.50 H new ATOM 0 HH21 ARG A 8 -4.864 -16.045 -5.017 1.00 73.33 H new ATOM 0 HH22 ARG A 8 -5.706 -16.468 -6.511 1.00 73.33 H new ATOM 141 N CYS A 9 -6.363 -12.103 0.495 1.00 72.25 N ATOM 142 CA CYS A 9 -5.415 -11.024 0.527 1.00 52.41 C ATOM 143 C CYS A 9 -6.049 -9.920 1.332 1.00 64.40 C ATOM 144 O CYS A 9 -7.227 -9.699 1.184 1.00 23.10 O ATOM 145 CB CYS A 9 -5.193 -10.508 -0.891 1.00 75.30 C ATOM 146 SG CYS A 9 -4.664 -11.763 -2.095 1.00 11.42 S ATOM 0 H CYS A 9 -7.326 -11.778 0.406 1.00 72.25 H new ATOM 0 HA CYS A 9 -4.465 -11.349 0.951 1.00 52.41 H new ATOM 0 HB2 CYS A 9 -6.119 -10.055 -1.245 1.00 75.30 H new ATOM 0 HB3 CYS A 9 -4.443 -9.718 -0.860 1.00 75.30 H new ATOM 151 N PRO A 10 -5.305 -9.203 2.181 1.00 4.32 N ATOM 152 CA PRO A 10 -5.886 -8.153 3.038 1.00 40.03 C ATOM 153 C PRO A 10 -6.428 -6.939 2.279 1.00 73.52 C ATOM 154 O PRO A 10 -7.440 -6.372 2.669 1.00 42.34 O ATOM 155 CB PRO A 10 -4.738 -7.744 3.972 1.00 24.44 C ATOM 156 CG PRO A 10 -3.693 -8.799 3.808 1.00 4.43 C ATOM 157 CD PRO A 10 -3.868 -9.366 2.424 1.00 51.33 C ATOM 0 HA PRO A 10 -6.762 -8.539 3.559 1.00 40.03 H new ATOM 0 HB2 PRO A 10 -4.348 -6.761 3.707 1.00 24.44 H new ATOM 0 HB3 PRO A 10 -5.076 -7.684 5.006 1.00 24.44 H new ATOM 0 HG2 PRO A 10 -2.695 -8.378 3.931 1.00 4.43 H new ATOM 0 HG3 PRO A 10 -3.806 -9.577 4.563 1.00 4.43 H new ATOM 0 HD2 PRO A 10 -3.271 -8.827 1.688 1.00 51.33 H new ATOM 0 HD3 PRO A 10 -3.566 -10.412 2.375 1.00 51.33 H new ATOM 165 N CYS A 11 -5.777 -6.543 1.217 1.00 52.53 N ATOM 166 CA CYS A 11 -6.236 -5.371 0.501 1.00 31.31 C ATOM 167 C CYS A 11 -7.210 -5.682 -0.607 1.00 2.33 C ATOM 168 O CYS A 11 -8.370 -5.283 -0.527 1.00 72.42 O ATOM 169 CB CYS A 11 -5.082 -4.490 0.012 1.00 22.13 C ATOM 170 SG CYS A 11 -4.184 -3.669 1.361 1.00 14.44 S ATOM 0 H CYS A 11 -4.949 -6.997 0.832 1.00 52.53 H new ATOM 0 HA CYS A 11 -6.794 -4.792 1.237 1.00 31.31 H new ATOM 0 HB2 CYS A 11 -4.384 -5.101 -0.560 1.00 22.13 H new ATOM 0 HB3 CYS A 11 -5.474 -3.733 -0.667 1.00 22.13 H new ATOM 175 N ARG A 12 -6.746 -6.399 -1.637 1.00 44.21 N ATOM 176 CA ARG A 12 -7.520 -6.679 -2.876 1.00 1.21 C ATOM 177 C ARG A 12 -7.727 -5.403 -3.714 1.00 25.52 C ATOM 178 O ARG A 12 -7.595 -5.418 -4.934 1.00 53.44 O ATOM 179 CB ARG A 12 -8.872 -7.342 -2.591 1.00 30.31 C ATOM 180 CG ARG A 12 -9.713 -7.525 -3.838 1.00 63.23 C ATOM 181 CD ARG A 12 -11.090 -8.008 -3.507 1.00 73.21 C ATOM 182 NE ARG A 12 -11.937 -8.045 -4.693 1.00 31.33 N ATOM 183 CZ ARG A 12 -13.255 -7.855 -4.690 1.00 74.52 C ATOM 184 NH1 ARG A 12 -13.902 -7.610 -3.544 1.00 44.31 N ATOM 185 NH2 ARG A 12 -13.925 -7.899 -5.831 1.00 70.20 N ATOM 0 H ARG A 12 -5.813 -6.811 -1.645 1.00 44.21 H new ATOM 0 HA ARG A 12 -6.920 -7.385 -3.450 1.00 1.21 H new ATOM 0 HB2 ARG A 12 -8.704 -8.314 -2.126 1.00 30.31 H new ATOM 0 HB3 ARG A 12 -9.424 -6.736 -1.872 1.00 30.31 H new ATOM 0 HG2 ARG A 12 -9.778 -6.579 -4.376 1.00 63.23 H new ATOM 0 HG3 ARG A 12 -9.227 -8.238 -4.504 1.00 63.23 H new ATOM 0 HD2 ARG A 12 -11.033 -9.004 -3.067 1.00 73.21 H new ATOM 0 HD3 ARG A 12 -11.537 -7.354 -2.758 1.00 73.21 H new ATOM 0 HE ARG A 12 -11.488 -8.230 -5.590 1.00 31.33 H new ATOM 0 HH11 ARG A 12 -13.385 -7.568 -2.666 1.00 44.31 H new ATOM 0 HH12 ARG A 12 -14.912 -7.465 -3.549 1.00 44.31 H new ATOM 0 HH21 ARG A 12 -13.432 -8.078 -6.706 1.00 70.20 H new ATOM 0 HH22 ARG A 12 -14.935 -7.754 -5.835 1.00 70.20 H new ATOM 199 N PHE A 13 -8.024 -4.320 -3.046 1.00 24.30 N ATOM 200 CA PHE A 13 -8.255 -3.052 -3.675 1.00 33.24 C ATOM 201 C PHE A 13 -7.007 -2.233 -3.517 1.00 51.32 C ATOM 202 O PHE A 13 -6.364 -2.276 -2.467 1.00 52.44 O ATOM 203 CB PHE A 13 -9.417 -2.312 -2.988 1.00 52.55 C ATOM 204 CG PHE A 13 -10.715 -3.074 -2.939 1.00 63.15 C ATOM 205 CD1 PHE A 13 -11.568 -3.088 -4.027 1.00 3.01 C ATOM 206 CD2 PHE A 13 -11.083 -3.767 -1.794 1.00 60.53 C ATOM 207 CE1 PHE A 13 -12.764 -3.775 -3.976 1.00 12.22 C ATOM 208 CE2 PHE A 13 -12.275 -4.458 -1.740 1.00 23.04 C ATOM 209 CZ PHE A 13 -13.117 -4.461 -2.833 1.00 42.31 C ATOM 0 H PHE A 13 -8.113 -4.297 -2.030 1.00 24.30 H new ATOM 0 HA PHE A 13 -8.507 -3.203 -4.725 1.00 33.24 H new ATOM 0 HB2 PHE A 13 -9.119 -2.065 -1.969 1.00 52.55 H new ATOM 0 HB3 PHE A 13 -9.586 -1.369 -3.508 1.00 52.55 H new ATOM 0 HD1 PHE A 13 -11.296 -2.556 -4.926 1.00 3.01 H new ATOM 0 HD2 PHE A 13 -10.428 -3.765 -0.935 1.00 60.53 H new ATOM 0 HE1 PHE A 13 -13.423 -3.775 -4.831 1.00 12.22 H new ATOM 0 HE2 PHE A 13 -12.549 -4.996 -0.844 1.00 23.04 H new ATOM 0 HZ PHE A 13 -14.052 -5.000 -2.793 1.00 42.31 H new ATOM 219 N PHE A 14 -6.651 -1.523 -4.541 1.00 62.34 N ATOM 220 CA PHE A 14 -5.455 -0.731 -4.552 1.00 44.34 C ATOM 221 C PHE A 14 -5.692 0.600 -5.213 1.00 11.01 C ATOM 222 O PHE A 14 -6.469 0.706 -6.170 1.00 11.35 O ATOM 223 CB PHE A 14 -4.348 -1.443 -5.314 1.00 23.03 C ATOM 224 CG PHE A 14 -3.871 -2.707 -4.693 1.00 54.53 C ATOM 225 CD1 PHE A 14 -3.148 -2.663 -3.533 1.00 22.33 C ATOM 226 CD2 PHE A 14 -4.115 -3.933 -5.280 1.00 14.55 C ATOM 227 CE1 PHE A 14 -2.667 -3.797 -2.958 1.00 20.03 C ATOM 228 CE2 PHE A 14 -3.641 -5.088 -4.707 1.00 64.53 C ATOM 229 CZ PHE A 14 -2.911 -5.020 -3.539 1.00 41.51 C ATOM 0 H PHE A 14 -7.188 -1.474 -5.407 1.00 62.34 H new ATOM 0 HA PHE A 14 -5.162 -0.580 -3.513 1.00 44.34 H new ATOM 0 HB2 PHE A 14 -4.703 -1.662 -6.321 1.00 23.03 H new ATOM 0 HB3 PHE A 14 -3.502 -0.763 -5.415 1.00 23.03 H new ATOM 0 HD1 PHE A 14 -2.955 -1.709 -3.065 1.00 22.33 H new ATOM 0 HD2 PHE A 14 -4.683 -3.984 -6.197 1.00 14.55 H new ATOM 0 HE1 PHE A 14 -2.093 -3.738 -2.045 1.00 20.03 H new ATOM 0 HE2 PHE A 14 -3.839 -6.044 -5.169 1.00 64.53 H new ATOM 0 HZ PHE A 14 -2.533 -5.923 -3.082 1.00 41.51 H new ATOM 239 N GLU A 15 -5.054 1.605 -4.708 1.00 40.34 N ATOM 240 CA GLU A 15 -5.085 2.889 -5.307 1.00 42.42 C ATOM 241 C GLU A 15 -3.723 3.160 -5.930 1.00 53.03 C ATOM 242 O GLU A 15 -2.693 3.088 -5.260 1.00 61.11 O ATOM 243 CB GLU A 15 -5.440 3.984 -4.283 1.00 43.03 C ATOM 244 CG GLU A 15 -5.560 5.364 -4.917 1.00 1.34 C ATOM 245 CD GLU A 15 -5.876 6.468 -3.949 1.00 31.43 C ATOM 246 OE1 GLU A 15 -4.954 7.016 -3.370 1.00 54.20 O ATOM 247 OE2 GLU A 15 -7.055 6.826 -3.799 1.00 44.35 O ATOM 0 H GLU A 15 -4.492 1.552 -3.859 1.00 40.34 H new ATOM 0 HA GLU A 15 -5.860 2.908 -6.073 1.00 42.42 H new ATOM 0 HB2 GLU A 15 -6.381 3.729 -3.796 1.00 43.03 H new ATOM 0 HB3 GLU A 15 -4.676 4.011 -3.506 1.00 43.03 H new ATOM 0 HG2 GLU A 15 -4.625 5.599 -5.425 1.00 1.34 H new ATOM 0 HG3 GLU A 15 -6.338 5.333 -5.680 1.00 1.34 H new ATOM 254 N SER A 16 -3.716 3.428 -7.208 1.00 14.45 N ATOM 255 CA SER A 16 -2.503 3.744 -7.928 1.00 52.10 C ATOM 256 C SER A 16 -2.341 5.260 -8.034 1.00 32.34 C ATOM 257 O SER A 16 -1.470 5.769 -8.729 1.00 71.43 O ATOM 258 CB SER A 16 -2.603 3.119 -9.309 1.00 23.52 C ATOM 259 OG SER A 16 -3.833 3.489 -9.921 1.00 22.22 O ATOM 0 H SER A 16 -4.556 3.434 -7.787 1.00 14.45 H new ATOM 0 HA SER A 16 -1.632 3.350 -7.404 1.00 52.10 H new ATOM 0 HB2 SER A 16 -1.767 3.446 -9.927 1.00 23.52 H new ATOM 0 HB3 SER A 16 -2.537 2.034 -9.232 1.00 23.52 H new ATOM 0 HG SER A 16 -3.890 3.084 -10.812 1.00 22.22 H new ATOM 265 N HIS A 17 -3.187 5.963 -7.312 1.00 23.33 N ATOM 266 CA HIS A 17 -3.246 7.426 -7.366 1.00 10.42 C ATOM 267 C HIS A 17 -2.498 8.036 -6.184 1.00 74.33 C ATOM 268 O HIS A 17 -2.519 9.249 -5.982 1.00 21.24 O ATOM 269 CB HIS A 17 -4.719 7.915 -7.345 1.00 31.13 C ATOM 270 CG HIS A 17 -5.609 7.348 -8.430 1.00 41.22 C ATOM 271 ND1 HIS A 17 -6.975 7.513 -8.440 1.00 32.11 N ATOM 272 CD2 HIS A 17 -5.321 6.607 -9.538 1.00 41.20 C ATOM 273 CE1 HIS A 17 -7.486 6.905 -9.488 1.00 22.31 C ATOM 274 NE2 HIS A 17 -6.506 6.348 -10.172 1.00 55.02 N ATOM 0 H HIS A 17 -3.858 5.545 -6.667 1.00 23.33 H new ATOM 0 HA HIS A 17 -2.775 7.746 -8.295 1.00 10.42 H new ATOM 0 HB2 HIS A 17 -5.153 7.666 -6.376 1.00 31.13 H new ATOM 0 HB3 HIS A 17 -4.724 9.002 -7.426 1.00 31.13 H new ATOM 0 HD2 HIS A 17 -4.341 6.285 -9.856 1.00 41.20 H new ATOM 0 HE1 HIS A 17 -8.534 6.868 -9.746 1.00 22.31 H new ATOM 0 HE2 HIS A 17 -6.613 5.812 -11.033 1.00 55.02 H new ATOM 283 N VAL A 18 -1.828 7.196 -5.424 1.00 40.32 N ATOM 284 CA VAL A 18 -1.115 7.627 -4.250 1.00 42.02 C ATOM 285 C VAL A 18 0.167 8.378 -4.629 1.00 51.14 C ATOM 286 O VAL A 18 0.925 7.939 -5.503 1.00 61.03 O ATOM 287 CB VAL A 18 -0.773 6.425 -3.346 1.00 25.24 C ATOM 288 CG1 VAL A 18 -0.110 6.882 -2.071 1.00 44.04 C ATOM 289 CG2 VAL A 18 -2.023 5.619 -3.031 1.00 22.13 C ATOM 0 H VAL A 18 -1.765 6.194 -5.607 1.00 40.32 H new ATOM 0 HA VAL A 18 -1.765 8.307 -3.699 1.00 42.02 H new ATOM 0 HB VAL A 18 -0.074 5.786 -3.886 1.00 25.24 H new ATOM 0 HG11 VAL A 18 0.121 6.016 -1.451 1.00 44.04 H new ATOM 0 HG12 VAL A 18 0.811 7.413 -2.310 1.00 44.04 H new ATOM 0 HG13 VAL A 18 -0.783 7.547 -1.529 1.00 44.04 H new ATOM 0 HG21 VAL A 18 -1.761 4.776 -2.392 1.00 22.13 H new ATOM 0 HG22 VAL A 18 -2.745 6.253 -2.516 1.00 22.13 H new ATOM 0 HG23 VAL A 18 -2.461 5.250 -3.958 1.00 22.13 H new ATOM 299 N ALA A 19 0.380 9.503 -3.984 1.00 34.21 N ATOM 300 CA ALA A 19 1.534 10.338 -4.205 1.00 40.11 C ATOM 301 C ALA A 19 2.391 10.343 -2.952 1.00 71.11 C ATOM 302 O ALA A 19 1.882 10.600 -1.860 1.00 55.04 O ATOM 303 CB ALA A 19 1.078 11.747 -4.515 1.00 45.24 C ATOM 0 H ALA A 19 -0.258 9.868 -3.277 1.00 34.21 H new ATOM 0 HA ALA A 19 2.116 9.953 -5.043 1.00 40.11 H new ATOM 0 HB1 ALA A 19 1.948 12.382 -4.683 1.00 45.24 H new ATOM 0 HB2 ALA A 19 0.456 11.739 -5.410 1.00 45.24 H new ATOM 0 HB3 ALA A 19 0.501 12.136 -3.676 1.00 45.24 H new ATOM 309 N ARG A 20 3.689 10.089 -3.106 1.00 2.01 N ATOM 310 CA ARG A 20 4.619 9.998 -1.967 1.00 31.13 C ATOM 311 C ARG A 20 4.649 11.263 -1.116 1.00 21.04 C ATOM 312 O ARG A 20 4.819 11.188 0.092 1.00 12.20 O ATOM 313 CB ARG A 20 6.035 9.619 -2.435 1.00 63.12 C ATOM 314 CG ARG A 20 7.088 9.573 -1.327 1.00 12.32 C ATOM 315 CD ARG A 20 8.442 9.135 -1.868 1.00 54.41 C ATOM 316 NE ARG A 20 9.498 9.217 -0.855 1.00 13.13 N ATOM 317 CZ ARG A 20 10.771 8.832 -1.027 1.00 32.21 C ATOM 318 NH1 ARG A 20 11.172 8.314 -2.191 1.00 33.45 N ATOM 319 NH2 ARG A 20 11.638 8.972 -0.031 1.00 52.24 N ATOM 0 H ARG A 20 4.130 9.940 -4.014 1.00 2.01 H new ATOM 0 HA ARG A 20 4.238 9.202 -1.327 1.00 31.13 H new ATOM 0 HB2 ARG A 20 5.993 8.642 -2.917 1.00 63.12 H new ATOM 0 HB3 ARG A 20 6.356 10.335 -3.192 1.00 63.12 H new ATOM 0 HG2 ARG A 20 7.179 10.557 -0.868 1.00 12.32 H new ATOM 0 HG3 ARG A 20 6.767 8.885 -0.545 1.00 12.32 H new ATOM 0 HD2 ARG A 20 8.371 8.111 -2.233 1.00 54.41 H new ATOM 0 HD3 ARG A 20 8.710 9.760 -2.720 1.00 54.41 H new ATOM 0 HE ARG A 20 9.244 9.598 0.056 1.00 13.13 H new ATOM 0 HH11 ARG A 20 10.508 8.209 -2.958 1.00 33.45 H new ATOM 0 HH12 ARG A 20 12.142 8.024 -2.313 1.00 33.45 H new ATOM 0 HH21 ARG A 20 11.334 9.370 0.858 1.00 52.24 H new ATOM 0 HH22 ARG A 20 12.608 8.681 -0.154 1.00 52.24 H new ATOM 333 N ALA A 21 4.450 12.409 -1.734 1.00 23.33 N ATOM 334 CA ALA A 21 4.480 13.678 -1.010 1.00 54.21 C ATOM 335 C ALA A 21 3.308 13.795 -0.028 1.00 2.23 C ATOM 336 O ALA A 21 3.398 14.497 0.990 1.00 4.35 O ATOM 337 CB ALA A 21 4.479 14.846 -1.981 1.00 2.33 C ATOM 0 H ALA A 21 4.266 12.495 -2.733 1.00 23.33 H new ATOM 0 HA ALA A 21 5.402 13.705 -0.430 1.00 54.21 H new ATOM 0 HB1 ALA A 21 4.502 15.782 -1.424 1.00 2.33 H new ATOM 0 HB2 ALA A 21 5.357 14.785 -2.624 1.00 2.33 H new ATOM 0 HB3 ALA A 21 3.578 14.810 -2.593 1.00 2.33 H new ATOM 343 N ASN A 22 2.229 13.092 -0.317 1.00 61.13 N ATOM 344 CA ASN A 22 1.032 13.142 0.515 1.00 23.24 C ATOM 345 C ASN A 22 1.012 11.953 1.477 1.00 4.33 C ATOM 346 O ASN A 22 0.177 11.867 2.371 1.00 5.34 O ATOM 347 CB ASN A 22 -0.221 13.147 -0.377 1.00 45.40 C ATOM 348 CG ASN A 22 -1.547 13.277 0.380 1.00 51.01 C ATOM 349 OD1 ASN A 22 -1.636 13.902 1.456 1.00 23.14 O ATOM 350 ND2 ASN A 22 -2.577 12.695 -0.171 1.00 25.31 N ATOM 0 H ASN A 22 2.153 12.475 -1.126 1.00 61.13 H new ATOM 0 HA ASN A 22 1.040 14.058 1.106 1.00 23.24 H new ATOM 0 HB2 ASN A 22 -0.142 13.970 -1.087 1.00 45.40 H new ATOM 0 HB3 ASN A 22 -0.240 12.225 -0.959 1.00 45.40 H new ATOM 0 HD21 ASN A 22 -3.491 12.743 0.279 1.00 25.31 H new ATOM 0 HD22 ASN A 22 -2.468 12.192 -1.052 1.00 25.31 H new ATOM 357 N VAL A 23 1.931 11.041 1.289 1.00 4.43 N ATOM 358 CA VAL A 23 2.026 9.886 2.158 1.00 44.13 C ATOM 359 C VAL A 23 2.755 10.245 3.440 1.00 3.53 C ATOM 360 O VAL A 23 3.875 10.758 3.409 1.00 31.45 O ATOM 361 CB VAL A 23 2.735 8.695 1.471 1.00 44.14 C ATOM 362 CG1 VAL A 23 2.812 7.505 2.406 1.00 34.33 C ATOM 363 CG2 VAL A 23 1.993 8.304 0.227 1.00 54.41 C ATOM 0 H VAL A 23 2.626 11.072 0.543 1.00 4.43 H new ATOM 0 HA VAL A 23 1.007 9.578 2.391 1.00 44.13 H new ATOM 0 HB VAL A 23 3.747 9.005 1.211 1.00 44.14 H new ATOM 0 HG11 VAL A 23 3.314 6.679 1.903 1.00 34.33 H new ATOM 0 HG12 VAL A 23 3.372 7.780 3.300 1.00 34.33 H new ATOM 0 HG13 VAL A 23 1.805 7.199 2.689 1.00 34.33 H new ATOM 0 HG21 VAL A 23 2.499 7.465 -0.250 1.00 54.41 H new ATOM 0 HG22 VAL A 23 0.975 8.014 0.487 1.00 54.41 H new ATOM 0 HG23 VAL A 23 1.965 9.149 -0.461 1.00 54.41 H new ATOM 373 N LYS A 24 2.108 10.010 4.550 1.00 22.54 N ATOM 374 CA LYS A 24 2.692 10.267 5.838 1.00 42.13 C ATOM 375 C LYS A 24 3.500 9.046 6.249 1.00 70.43 C ATOM 376 O LYS A 24 4.708 9.109 6.471 1.00 35.14 O ATOM 377 CB LYS A 24 1.568 10.507 6.847 1.00 1.24 C ATOM 378 CG LYS A 24 1.976 10.984 8.152 1.00 35.52 C ATOM 379 CD LYS A 24 0.748 11.322 8.940 1.00 33.32 C ATOM 380 CE LYS A 24 1.145 11.892 10.214 1.00 73.14 C ATOM 381 NZ LYS A 24 -0.003 12.125 11.114 1.00 12.51 N ATOM 0 H LYS A 24 1.160 9.635 4.586 1.00 22.54 H new ATOM 0 HA LYS A 24 3.340 11.143 5.802 1.00 42.13 H new ATOM 0 HB2 LYS A 24 0.872 11.229 6.420 1.00 1.24 H new ATOM 0 HB3 LYS A 24 1.020 9.574 6.978 1.00 1.24 H new ATOM 0 HG2 LYS A 24 2.560 10.222 8.668 1.00 35.52 H new ATOM 0 HG3 LYS A 24 2.615 11.861 8.052 1.00 35.52 H new ATOM 0 HD2 LYS A 24 0.129 12.029 8.388 1.00 33.32 H new ATOM 0 HD3 LYS A 24 0.145 10.428 9.099 1.00 33.32 H new ATOM 0 HE2 LYS A 24 1.855 11.224 10.702 1.00 73.14 H new ATOM 0 HE3 LYS A 24 1.663 12.835 10.040 1.00 73.14 H new ATOM 0 HZ1 LYS A 24 0.335 12.533 12.009 1.00 12.51 H new ATOM 0 HZ2 LYS A 24 -0.669 12.784 10.663 1.00 12.51 H new ATOM 0 HZ3 LYS A 24 -0.484 11.223 11.304 1.00 12.51 H new ATOM 395 N ARG A 25 2.818 7.941 6.300 1.00 33.34 N ATOM 396 CA ARG A 25 3.381 6.674 6.693 1.00 51.32 C ATOM 397 C ARG A 25 2.859 5.593 5.772 1.00 42.30 C ATOM 398 O ARG A 25 1.650 5.573 5.465 1.00 74.12 O ATOM 399 CB ARG A 25 2.973 6.368 8.153 1.00 50.54 C ATOM 400 CG ARG A 25 3.339 4.972 8.659 1.00 64.42 C ATOM 401 CD ARG A 25 4.828 4.723 8.623 1.00 23.01 C ATOM 402 NE ARG A 25 5.156 3.359 9.031 1.00 53.20 N ATOM 403 CZ ARG A 25 6.365 2.808 8.927 1.00 14.02 C ATOM 404 NH1 ARG A 25 7.377 3.505 8.424 1.00 60.53 N ATOM 405 NH2 ARG A 25 6.561 1.559 9.330 1.00 51.12 N ATOM 0 H ARG A 25 1.827 7.890 6.064 1.00 33.34 H new ATOM 0 HA ARG A 25 4.468 6.710 6.625 1.00 51.32 H new ATOM 0 HB2 ARG A 25 3.440 7.106 8.805 1.00 50.54 H new ATOM 0 HB3 ARG A 25 1.895 6.498 8.246 1.00 50.54 H new ATOM 0 HG2 ARG A 25 2.977 4.851 9.680 1.00 64.42 H new ATOM 0 HG3 ARG A 25 2.832 4.223 8.051 1.00 64.42 H new ATOM 0 HD2 ARG A 25 5.203 4.902 7.615 1.00 23.01 H new ATOM 0 HD3 ARG A 25 5.332 5.431 9.281 1.00 23.01 H new ATOM 0 HE ARG A 25 4.407 2.788 9.423 1.00 53.20 H new ATOM 0 HH11 ARG A 25 7.231 4.466 8.115 1.00 60.53 H new ATOM 0 HH12 ARG A 25 8.301 3.079 8.346 1.00 60.53 H new ATOM 0 HH21 ARG A 25 5.787 1.021 9.719 1.00 51.12 H new ATOM 0 HH22 ARG A 25 7.486 1.137 9.251 1.00 51.12 H new ATOM 419 N LEU A 26 3.739 4.725 5.305 1.00 44.43 N ATOM 420 CA LEU A 26 3.306 3.612 4.517 1.00 51.05 C ATOM 421 C LEU A 26 4.110 2.374 4.856 1.00 24.12 C ATOM 422 O LEU A 26 5.202 2.470 5.423 1.00 71.24 O ATOM 423 CB LEU A 26 3.319 3.869 2.993 1.00 3.13 C ATOM 424 CG LEU A 26 4.635 3.854 2.222 1.00 20.35 C ATOM 425 CD1 LEU A 26 4.287 3.901 0.776 1.00 53.15 C ATOM 426 CD2 LEU A 26 5.532 5.029 2.544 1.00 41.52 C ATOM 0 H LEU A 26 4.745 4.778 5.462 1.00 44.43 H new ATOM 0 HA LEU A 26 2.260 3.454 4.780 1.00 51.05 H new ATOM 0 HB2 LEU A 26 2.668 3.125 2.535 1.00 3.13 H new ATOM 0 HB3 LEU A 26 2.858 4.842 2.826 1.00 3.13 H new ATOM 0 HG LEU A 26 5.188 2.957 2.500 1.00 20.35 H new ATOM 0 HD11 LEU A 26 5.201 3.892 0.181 1.00 53.15 H new ATOM 0 HD12 LEU A 26 3.679 3.033 0.520 1.00 53.15 H new ATOM 0 HD13 LEU A 26 3.726 4.812 0.566 1.00 53.15 H new ATOM 0 HD21 LEU A 26 6.450 4.956 1.961 1.00 41.52 H new ATOM 0 HD22 LEU A 26 5.018 5.958 2.296 1.00 41.52 H new ATOM 0 HD23 LEU A 26 5.775 5.021 3.607 1.00 41.52 H new ATOM 438 N LYS A 27 3.572 1.231 4.521 1.00 63.02 N ATOM 439 CA LYS A 27 4.209 -0.036 4.805 1.00 72.43 C ATOM 440 C LYS A 27 3.817 -1.030 3.735 1.00 4.21 C ATOM 441 O LYS A 27 2.655 -1.073 3.328 1.00 3.40 O ATOM 442 CB LYS A 27 3.727 -0.561 6.171 1.00 1.14 C ATOM 443 CG LYS A 27 4.293 -1.916 6.659 1.00 74.41 C ATOM 444 CD LYS A 27 5.697 -1.847 7.274 1.00 51.52 C ATOM 445 CE LYS A 27 6.783 -1.456 6.300 1.00 70.42 C ATOM 446 NZ LYS A 27 8.121 -1.504 6.920 1.00 51.45 N ATOM 0 H LYS A 27 2.676 1.148 4.041 1.00 63.02 H new ATOM 0 HA LYS A 27 5.291 0.094 4.824 1.00 72.43 H new ATOM 0 HB2 LYS A 27 3.964 0.192 6.923 1.00 1.14 H new ATOM 0 HB3 LYS A 27 2.641 -0.644 6.134 1.00 1.14 H new ATOM 0 HG2 LYS A 27 3.609 -2.334 7.398 1.00 74.41 H new ATOM 0 HG3 LYS A 27 4.315 -2.608 5.817 1.00 74.41 H new ATOM 0 HD2 LYS A 27 5.686 -1.130 8.095 1.00 51.52 H new ATOM 0 HD3 LYS A 27 5.942 -2.819 7.702 1.00 51.52 H new ATOM 0 HE2 LYS A 27 6.757 -2.125 5.440 1.00 70.42 H new ATOM 0 HE3 LYS A 27 6.591 -0.450 5.927 1.00 70.42 H new ATOM 0 HZ1 LYS A 27 8.838 -1.229 6.219 1.00 51.45 H new ATOM 0 HZ2 LYS A 27 8.154 -0.847 7.725 1.00 51.45 H new ATOM 0 HZ3 LYS A 27 8.315 -2.470 7.253 1.00 51.45 H new ATOM 460 N ILE A 28 4.770 -1.794 3.275 1.00 42.25 N ATOM 461 CA ILE A 28 4.515 -2.851 2.325 1.00 33.35 C ATOM 462 C ILE A 28 4.497 -4.168 3.074 1.00 40.23 C ATOM 463 O ILE A 28 5.473 -4.516 3.734 1.00 20.52 O ATOM 464 CB ILE A 28 5.605 -2.929 1.209 1.00 72.33 C ATOM 465 CG1 ILE A 28 5.652 -1.651 0.374 1.00 64.43 C ATOM 466 CG2 ILE A 28 5.413 -4.142 0.311 1.00 61.24 C ATOM 467 CD1 ILE A 28 6.586 -1.738 -0.821 1.00 1.15 C ATOM 0 H ILE A 28 5.749 -1.704 3.547 1.00 42.25 H new ATOM 0 HA ILE A 28 3.561 -2.644 1.841 1.00 33.35 H new ATOM 0 HB ILE A 28 6.562 -3.037 1.719 1.00 72.33 H new ATOM 0 HG12 ILE A 28 4.647 -1.420 0.022 1.00 64.43 H new ATOM 0 HG13 ILE A 28 5.966 -0.823 1.010 1.00 64.43 H new ATOM 0 HG21 ILE A 28 6.192 -4.158 -0.451 1.00 61.24 H new ATOM 0 HG22 ILE A 28 5.473 -5.051 0.910 1.00 61.24 H new ATOM 0 HG23 ILE A 28 4.436 -4.088 -0.170 1.00 61.24 H new ATOM 0 HD11 ILE A 28 6.568 -0.795 -1.367 1.00 1.15 H new ATOM 0 HD12 ILE A 28 7.600 -1.938 -0.476 1.00 1.15 H new ATOM 0 HD13 ILE A 28 6.261 -2.544 -1.479 1.00 1.15 H new ATOM 479 N LEU A 29 3.398 -4.866 3.015 1.00 41.22 N ATOM 480 CA LEU A 29 3.298 -6.165 3.628 1.00 4.11 C ATOM 481 C LEU A 29 3.384 -7.225 2.571 1.00 10.32 C ATOM 482 O LEU A 29 2.453 -7.396 1.775 1.00 72.22 O ATOM 483 CB LEU A 29 1.977 -6.328 4.381 1.00 15.21 C ATOM 484 CG LEU A 29 1.728 -5.399 5.557 1.00 23.02 C ATOM 485 CD1 LEU A 29 0.363 -5.691 6.156 1.00 62.42 C ATOM 486 CD2 LEU A 29 2.814 -5.571 6.608 1.00 42.31 C ATOM 0 H LEU A 29 2.549 -4.555 2.544 1.00 41.22 H new ATOM 0 HA LEU A 29 4.119 -6.264 4.339 1.00 4.11 H new ATOM 0 HB2 LEU A 29 1.163 -6.196 3.668 1.00 15.21 H new ATOM 0 HB3 LEU A 29 1.919 -7.354 4.743 1.00 15.21 H new ATOM 0 HG LEU A 29 1.751 -4.367 5.207 1.00 23.02 H new ATOM 0 HD11 LEU A 29 0.186 -5.024 7.000 1.00 62.42 H new ATOM 0 HD12 LEU A 29 -0.407 -5.534 5.401 1.00 62.42 H new ATOM 0 HD13 LEU A 29 0.330 -6.725 6.498 1.00 62.42 H new ATOM 0 HD21 LEU A 29 2.621 -4.899 7.444 1.00 42.31 H new ATOM 0 HD22 LEU A 29 2.816 -6.601 6.964 1.00 42.31 H new ATOM 0 HD23 LEU A 29 3.784 -5.337 6.170 1.00 42.31 H new ATOM 498 N ASN A 30 4.475 -7.928 2.549 1.00 44.21 N ATOM 499 CA ASN A 30 4.653 -9.000 1.611 1.00 10.45 C ATOM 500 C ASN A 30 4.110 -10.269 2.204 1.00 12.42 C ATOM 501 O ASN A 30 4.813 -10.984 2.916 1.00 34.24 O ATOM 502 CB ASN A 30 6.135 -9.198 1.221 1.00 42.54 C ATOM 503 CG ASN A 30 6.756 -8.016 0.503 1.00 14.24 C ATOM 504 OD1 ASN A 30 7.322 -7.111 1.132 1.00 34.42 O ATOM 505 ND2 ASN A 30 6.676 -8.013 -0.804 1.00 22.25 N ATOM 0 H ASN A 30 5.265 -7.778 3.176 1.00 44.21 H new ATOM 0 HA ASN A 30 4.111 -8.741 0.701 1.00 10.45 H new ATOM 0 HB2 ASN A 30 6.711 -9.403 2.123 1.00 42.54 H new ATOM 0 HB3 ASN A 30 6.216 -10.078 0.584 1.00 42.54 H new ATOM 0 HD21 ASN A 30 7.088 -7.248 -1.338 1.00 22.25 H new ATOM 0 HD22 ASN A 30 6.202 -8.776 -1.288 1.00 22.25 H new ATOM 512 N THR A 31 2.841 -10.516 1.986 1.00 63.33 N ATOM 513 CA THR A 31 2.232 -11.698 2.495 1.00 24.32 C ATOM 514 C THR A 31 2.569 -12.874 1.583 1.00 4.23 C ATOM 515 O THR A 31 2.365 -12.790 0.364 1.00 0.45 O ATOM 516 CB THR A 31 0.703 -11.525 2.592 1.00 12.02 C ATOM 517 OG1 THR A 31 0.188 -11.136 1.307 1.00 21.45 O ATOM 518 CG2 THR A 31 0.338 -10.467 3.625 1.00 12.14 C ATOM 0 H THR A 31 2.217 -9.906 1.457 1.00 63.33 H new ATOM 0 HA THR A 31 2.617 -11.891 3.496 1.00 24.32 H new ATOM 0 HB THR A 31 0.265 -12.474 2.902 1.00 12.02 H new ATOM 0 HG1 THR A 31 0.933 -10.935 0.703 1.00 21.45 H new ATOM 0 HG21 THR A 31 -0.746 -10.365 3.674 1.00 12.14 H new ATOM 0 HG22 THR A 31 0.718 -10.766 4.602 1.00 12.14 H new ATOM 0 HG23 THR A 31 0.780 -9.512 3.340 1.00 12.14 H new ATOM 526 N PRO A 32 3.098 -13.978 2.142 1.00 53.24 N ATOM 527 CA PRO A 32 3.459 -15.174 1.355 1.00 33.35 C ATOM 528 C PRO A 32 2.216 -15.840 0.765 1.00 1.21 C ATOM 529 O PRO A 32 2.284 -16.581 -0.215 1.00 42.32 O ATOM 530 CB PRO A 32 4.126 -16.096 2.392 1.00 34.34 C ATOM 531 CG PRO A 32 3.603 -15.634 3.711 1.00 20.04 C ATOM 532 CD PRO A 32 3.396 -14.153 3.582 1.00 72.31 C ATOM 0 HA PRO A 32 4.104 -14.942 0.507 1.00 33.35 H new ATOM 0 HB2 PRO A 32 3.874 -17.141 2.211 1.00 34.34 H new ATOM 0 HB3 PRO A 32 5.212 -16.018 2.349 1.00 34.34 H new ATOM 0 HG2 PRO A 32 2.668 -16.138 3.958 1.00 20.04 H new ATOM 0 HG3 PRO A 32 4.308 -15.861 4.511 1.00 20.04 H new ATOM 0 HD2 PRO A 32 2.575 -13.805 4.208 1.00 72.31 H new ATOM 0 HD3 PRO A 32 4.283 -13.595 3.880 1.00 72.31 H new ATOM 540 N ASN A 33 1.091 -15.538 1.362 1.00 42.33 N ATOM 541 CA ASN A 33 -0.194 -16.068 0.950 1.00 53.24 C ATOM 542 C ASN A 33 -0.753 -15.310 -0.247 1.00 63.44 C ATOM 543 O ASN A 33 -1.454 -15.883 -1.073 1.00 10.34 O ATOM 544 CB ASN A 33 -1.183 -16.023 2.126 1.00 45.41 C ATOM 545 CG ASN A 33 -1.342 -14.625 2.684 1.00 73.41 C ATOM 546 OD1 ASN A 33 -0.594 -14.218 3.567 1.00 54.41 O ATOM 547 ND2 ASN A 33 -2.298 -13.883 2.193 1.00 53.21 N ATOM 0 H ASN A 33 1.036 -14.907 2.162 1.00 42.33 H new ATOM 0 HA ASN A 33 -0.050 -17.104 0.644 1.00 53.24 H new ATOM 0 HB2 ASN A 33 -2.154 -16.394 1.797 1.00 45.41 H new ATOM 0 HB3 ASN A 33 -0.837 -16.691 2.915 1.00 45.41 H new ATOM 0 HD21 ASN A 33 -2.439 -12.936 2.543 1.00 53.21 H new ATOM 0 HD22 ASN A 33 -2.903 -14.251 1.459 1.00 53.21 H new ATOM 554 N CYS A 34 -0.464 -14.024 -0.343 1.00 5.42 N ATOM 555 CA CYS A 34 -0.963 -13.267 -1.466 1.00 70.11 C ATOM 556 C CYS A 34 0.163 -12.682 -2.312 1.00 1.43 C ATOM 557 O CYS A 34 0.608 -13.282 -3.297 1.00 62.30 O ATOM 558 CB CYS A 34 -1.872 -12.126 -1.017 1.00 32.23 C ATOM 559 SG CYS A 34 -2.733 -11.310 -2.400 1.00 32.32 S ATOM 0 H CYS A 34 0.098 -13.498 0.326 1.00 5.42 H new ATOM 0 HA CYS A 34 -1.532 -13.974 -2.069 1.00 70.11 H new ATOM 0 HB2 CYS A 34 -2.611 -12.513 -0.315 1.00 32.23 H new ATOM 0 HB3 CYS A 34 -1.278 -11.386 -0.480 1.00 32.23 H new ATOM 564 N ALA A 35 0.634 -11.537 -1.876 1.00 71.11 N ATOM 565 CA ALA A 35 1.577 -10.707 -2.558 1.00 54.34 C ATOM 566 C ALA A 35 1.823 -9.563 -1.627 1.00 72.42 C ATOM 567 O ALA A 35 1.603 -9.701 -0.412 1.00 0.34 O ATOM 568 CB ALA A 35 0.953 -10.196 -3.865 1.00 65.11 C ATOM 0 H ALA A 35 0.346 -11.144 -0.980 1.00 71.11 H new ATOM 0 HA ALA A 35 2.497 -11.234 -2.812 1.00 54.34 H new ATOM 0 HB1 ALA A 35 1.670 -9.563 -4.387 1.00 65.11 H new ATOM 0 HB2 ALA A 35 0.689 -11.043 -4.498 1.00 65.11 H new ATOM 0 HB3 ALA A 35 0.056 -9.619 -3.639 1.00 65.11 H new ATOM 574 N LEU A 36 2.249 -8.475 -2.135 1.00 33.33 N ATOM 575 CA LEU A 36 2.499 -7.339 -1.334 1.00 1.24 C ATOM 576 C LEU A 36 1.338 -6.363 -1.326 1.00 64.52 C ATOM 577 O LEU A 36 0.852 -5.929 -2.375 1.00 71.32 O ATOM 578 CB LEU A 36 3.821 -6.653 -1.680 1.00 35.32 C ATOM 579 CG LEU A 36 4.123 -6.374 -3.151 1.00 2.21 C ATOM 580 CD1 LEU A 36 5.185 -5.310 -3.230 1.00 21.41 C ATOM 581 CD2 LEU A 36 4.664 -7.631 -3.835 1.00 2.04 C ATOM 0 H LEU A 36 2.437 -8.343 -3.129 1.00 33.33 H new ATOM 0 HA LEU A 36 2.600 -7.711 -0.314 1.00 1.24 H new ATOM 0 HB2 LEU A 36 3.853 -5.703 -1.147 1.00 35.32 H new ATOM 0 HB3 LEU A 36 4.629 -7.268 -1.284 1.00 35.32 H new ATOM 0 HG LEU A 36 3.205 -6.057 -3.645 1.00 2.21 H new ATOM 0 HD11 LEU A 36 5.412 -5.099 -4.275 1.00 21.41 H new ATOM 0 HD12 LEU A 36 4.826 -4.401 -2.746 1.00 21.41 H new ATOM 0 HD13 LEU A 36 6.087 -5.658 -2.726 1.00 21.41 H new ATOM 0 HD21 LEU A 36 4.874 -7.414 -4.882 1.00 2.04 H new ATOM 0 HD22 LEU A 36 5.582 -7.949 -3.340 1.00 2.04 H new ATOM 0 HD23 LEU A 36 3.923 -8.428 -3.771 1.00 2.04 H new ATOM 593 N GLN A 37 0.877 -6.063 -0.135 1.00 14.43 N ATOM 594 CA GLN A 37 -0.167 -5.085 0.087 1.00 45.14 C ATOM 595 C GLN A 37 0.437 -3.904 0.788 1.00 21.31 C ATOM 596 O GLN A 37 1.173 -4.070 1.753 1.00 42.03 O ATOM 597 CB GLN A 37 -1.350 -5.639 0.911 1.00 31.24 C ATOM 598 CG GLN A 37 -2.205 -6.694 0.208 1.00 4.43 C ATOM 599 CD GLN A 37 -1.547 -8.046 0.014 1.00 62.43 C ATOM 600 OE1 GLN A 37 -1.819 -8.728 -0.958 1.00 41.12 O ATOM 601 NE2 GLN A 37 -0.753 -8.469 0.960 1.00 3.11 N ATOM 0 H GLN A 37 1.221 -6.497 0.722 1.00 14.43 H new ATOM 0 HA GLN A 37 -0.576 -4.802 -0.883 1.00 45.14 H new ATOM 0 HB2 GLN A 37 -0.958 -6.069 1.833 1.00 31.24 H new ATOM 0 HB3 GLN A 37 -1.993 -4.806 1.196 1.00 31.24 H new ATOM 0 HG2 GLN A 37 -3.121 -6.835 0.781 1.00 4.43 H new ATOM 0 HG3 GLN A 37 -2.496 -6.308 -0.769 1.00 4.43 H new ATOM 0 HE21 GLN A 37 -0.548 -7.870 1.760 1.00 3.11 H new ATOM 0 HE22 GLN A 37 -0.338 -9.399 0.900 1.00 3.11 H new ATOM 610 N ILE A 38 0.147 -2.734 0.314 1.00 22.03 N ATOM 611 CA ILE A 38 0.763 -1.542 0.845 1.00 40.43 C ATOM 612 C ILE A 38 -0.330 -0.628 1.365 1.00 14.44 C ATOM 613 O ILE A 38 -1.438 -0.683 0.874 1.00 24.12 O ATOM 614 CB ILE A 38 1.510 -0.808 -0.280 1.00 1.42 C ATOM 615 CG1 ILE A 38 2.303 -1.805 -1.123 1.00 75.44 C ATOM 616 CG2 ILE A 38 2.455 0.240 0.308 1.00 3.33 C ATOM 617 CD1 ILE A 38 3.008 -1.176 -2.287 1.00 60.14 C ATOM 0 H ILE A 38 -0.515 -2.570 -0.444 1.00 22.03 H new ATOM 0 HA ILE A 38 1.458 -1.809 1.641 1.00 40.43 H new ATOM 0 HB ILE A 38 0.778 -0.308 -0.915 1.00 1.42 H new ATOM 0 HG12 ILE A 38 3.037 -2.302 -0.489 1.00 75.44 H new ATOM 0 HG13 ILE A 38 1.626 -2.576 -1.492 1.00 75.44 H new ATOM 0 HG21 ILE A 38 2.978 0.752 -0.500 1.00 3.33 H new ATOM 0 HG22 ILE A 38 1.881 0.964 0.886 1.00 3.33 H new ATOM 0 HG23 ILE A 38 3.181 -0.249 0.958 1.00 3.33 H new ATOM 0 HD11 ILE A 38 3.551 -1.942 -2.841 1.00 60.14 H new ATOM 0 HD12 ILE A 38 2.277 -0.703 -2.943 1.00 60.14 H new ATOM 0 HD13 ILE A 38 3.710 -0.425 -1.925 1.00 60.14 H new ATOM 629 N VAL A 39 -0.025 0.198 2.343 1.00 22.11 N ATOM 630 CA VAL A 39 -1.007 1.128 2.906 1.00 32.44 C ATOM 631 C VAL A 39 -0.441 2.534 2.935 1.00 62.34 C ATOM 632 O VAL A 39 0.681 2.720 3.333 1.00 43.34 O ATOM 633 CB VAL A 39 -1.500 0.710 4.333 1.00 73.11 C ATOM 634 CG1 VAL A 39 -2.270 -0.598 4.273 1.00 64.32 C ATOM 635 CG2 VAL A 39 -0.331 0.582 5.314 1.00 24.14 C ATOM 0 H VAL A 39 0.898 0.252 2.773 1.00 22.11 H new ATOM 0 HA VAL A 39 -1.879 1.097 2.253 1.00 32.44 H new ATOM 0 HB VAL A 39 -2.163 1.497 4.693 1.00 73.11 H new ATOM 0 HG11 VAL A 39 -2.603 -0.870 5.274 1.00 64.32 H new ATOM 0 HG12 VAL A 39 -3.136 -0.481 3.622 1.00 64.32 H new ATOM 0 HG13 VAL A 39 -1.624 -1.383 3.880 1.00 64.32 H new ATOM 0 HG21 VAL A 39 -0.709 0.291 6.294 1.00 24.14 H new ATOM 0 HG22 VAL A 39 0.365 -0.175 4.954 1.00 24.14 H new ATOM 0 HG23 VAL A 39 0.184 1.539 5.393 1.00 24.14 H new ATOM 645 N ALA A 40 -1.215 3.505 2.496 1.00 43.21 N ATOM 646 CA ALA A 40 -0.770 4.897 2.443 1.00 75.35 C ATOM 647 C ALA A 40 -1.646 5.760 3.275 1.00 13.45 C ATOM 648 O ALA A 40 -2.812 5.931 2.941 1.00 4.42 O ATOM 649 CB ALA A 40 -0.854 5.425 1.024 1.00 70.33 C ATOM 0 H ALA A 40 -2.169 3.360 2.165 1.00 43.21 H new ATOM 0 HA ALA A 40 0.256 4.921 2.809 1.00 75.35 H new ATOM 0 HB1 ALA A 40 -0.519 6.462 1.001 1.00 70.33 H new ATOM 0 HB2 ALA A 40 -0.218 4.824 0.374 1.00 70.33 H new ATOM 0 HB3 ALA A 40 -1.885 5.369 0.675 1.00 70.33 H new ATOM 655 N ARG A 41 -1.130 6.322 4.335 1.00 13.11 N ATOM 656 CA ARG A 41 -1.937 7.213 5.097 1.00 54.21 C ATOM 657 C ARG A 41 -1.646 8.603 4.688 1.00 52.22 C ATOM 658 O ARG A 41 -0.504 9.070 4.765 1.00 21.34 O ATOM 659 CB ARG A 41 -1.819 7.003 6.595 1.00 44.30 C ATOM 660 CG ARG A 41 -2.671 7.956 7.406 1.00 0.42 C ATOM 661 CD ARG A 41 -2.966 7.385 8.786 1.00 63.03 C ATOM 662 NE ARG A 41 -1.756 7.087 9.558 1.00 74.33 N ATOM 663 CZ ARG A 41 -1.627 6.047 10.400 1.00 72.31 C ATOM 664 NH1 ARG A 41 -2.654 5.209 10.612 1.00 43.11 N ATOM 665 NH2 ARG A 41 -0.487 5.860 11.039 1.00 4.24 N ATOM 0 H ARG A 41 -0.180 6.180 4.678 1.00 13.11 H new ATOM 0 HA ARG A 41 -2.982 6.994 4.879 1.00 54.21 H new ATOM 0 HB2 ARG A 41 -2.105 5.979 6.834 1.00 44.30 H new ATOM 0 HB3 ARG A 41 -0.776 7.120 6.889 1.00 44.30 H new ATOM 0 HG2 ARG A 41 -2.158 8.912 7.506 1.00 0.42 H new ATOM 0 HG3 ARG A 41 -3.606 8.150 6.881 1.00 0.42 H new ATOM 0 HD2 ARG A 41 -3.579 8.094 9.342 1.00 63.03 H new ATOM 0 HD3 ARG A 41 -3.553 6.473 8.677 1.00 63.03 H new ATOM 0 HE ARG A 41 -0.957 7.712 9.449 1.00 74.33 H new ATOM 0 HH11 ARG A 41 -3.542 5.359 10.132 1.00 43.11 H new ATOM 0 HH12 ARG A 41 -2.547 4.423 11.253 1.00 43.11 H new ATOM 0 HH21 ARG A 41 0.291 6.503 10.893 1.00 4.24 H new ATOM 0 HH22 ARG A 41 -0.384 5.072 11.679 1.00 4.24 H new ATOM 679 N LEU A 42 -2.667 9.242 4.219 1.00 10.44 N ATOM 680 CA LEU A 42 -2.571 10.556 3.663 1.00 44.24 C ATOM 681 C LEU A 42 -2.329 11.577 4.727 1.00 73.01 C ATOM 682 O LEU A 42 -2.927 11.518 5.783 1.00 75.43 O ATOM 683 CB LEU A 42 -3.858 10.917 2.906 1.00 54.54 C ATOM 684 CG LEU A 42 -4.300 9.971 1.781 1.00 32.31 C ATOM 685 CD1 LEU A 42 -5.268 10.645 0.829 1.00 71.43 C ATOM 686 CD2 LEU A 42 -3.135 9.320 1.047 1.00 3.34 C ATOM 0 H LEU A 42 -3.612 8.859 4.210 1.00 10.44 H new ATOM 0 HA LEU A 42 -1.727 10.557 2.973 1.00 44.24 H new ATOM 0 HB2 LEU A 42 -4.669 10.982 3.631 1.00 54.54 H new ATOM 0 HB3 LEU A 42 -3.731 11.912 2.480 1.00 54.54 H new ATOM 0 HG LEU A 42 -4.834 9.154 2.267 1.00 32.31 H new ATOM 0 HD11 LEU A 42 -5.557 9.943 0.047 1.00 71.43 H new ATOM 0 HD12 LEU A 42 -6.155 10.964 1.377 1.00 71.43 H new ATOM 0 HD13 LEU A 42 -4.789 11.514 0.378 1.00 71.43 H new ATOM 0 HD21 LEU A 42 -3.518 8.664 0.265 1.00 3.34 H new ATOM 0 HD22 LEU A 42 -2.510 10.092 0.599 1.00 3.34 H new ATOM 0 HD23 LEU A 42 -2.542 8.737 1.751 1.00 3.34 H new ATOM 698 N LYS A 43 -1.448 12.496 4.457 1.00 33.22 N ATOM 699 CA LYS A 43 -1.227 13.610 5.350 1.00 13.24 C ATOM 700 C LYS A 43 -2.466 14.498 5.314 1.00 71.53 C ATOM 701 O LYS A 43 -2.899 15.039 6.326 1.00 61.35 O ATOM 702 CB LYS A 43 -0.028 14.432 4.894 1.00 51.04 C ATOM 703 CG LYS A 43 1.263 13.708 4.852 1.00 64.45 C ATOM 704 CD LYS A 43 2.308 14.611 4.261 1.00 41.23 C ATOM 705 CE LYS A 43 3.653 14.033 4.435 1.00 64.31 C ATOM 706 NZ LYS A 43 4.703 14.858 3.791 1.00 22.32 N ATOM 0 H LYS A 43 -0.864 12.501 3.621 1.00 33.22 H new ATOM 0 HA LYS A 43 -1.036 13.235 6.356 1.00 13.24 H new ATOM 0 HB2 LYS A 43 -0.237 14.825 3.899 1.00 51.04 H new ATOM 0 HB3 LYS A 43 0.077 15.289 5.560 1.00 51.04 H new ATOM 0 HG2 LYS A 43 1.555 13.400 5.856 1.00 64.45 H new ATOM 0 HG3 LYS A 43 1.167 12.801 4.255 1.00 64.45 H new ATOM 0 HD2 LYS A 43 2.107 14.764 3.201 1.00 41.23 H new ATOM 0 HD3 LYS A 43 2.263 15.590 4.738 1.00 41.23 H new ATOM 0 HE2 LYS A 43 3.870 13.936 5.499 1.00 64.31 H new ATOM 0 HE3 LYS A 43 3.673 13.028 4.013 1.00 64.31 H new ATOM 0 HZ1 LYS A 43 5.634 14.423 3.953 1.00 22.32 H new ATOM 0 HZ2 LYS A 43 4.521 14.916 2.769 1.00 22.32 H new ATOM 0 HZ3 LYS A 43 4.692 15.814 4.199 1.00 22.32 H new ATOM 720 N ASN A 44 -3.027 14.624 4.120 1.00 71.34 N ATOM 721 CA ASN A 44 -4.207 15.446 3.879 1.00 62.04 C ATOM 722 C ASN A 44 -5.478 14.788 4.417 1.00 70.13 C ATOM 723 O ASN A 44 -6.186 15.358 5.245 1.00 41.42 O ATOM 724 CB ASN A 44 -4.363 15.691 2.369 1.00 41.11 C ATOM 725 CG ASN A 44 -5.574 16.546 2.014 1.00 54.35 C ATOM 726 OD1 ASN A 44 -6.682 16.033 1.821 1.00 10.22 O ATOM 727 ND2 ASN A 44 -5.373 17.824 1.883 1.00 24.42 N ATOM 0 H ASN A 44 -2.675 14.156 3.285 1.00 71.34 H new ATOM 0 HA ASN A 44 -4.067 16.390 4.405 1.00 62.04 H new ATOM 0 HB2 ASN A 44 -3.463 16.176 1.993 1.00 41.11 H new ATOM 0 HB3 ASN A 44 -4.444 14.731 1.860 1.00 41.11 H new ATOM 0 HD21 ASN A 44 -6.143 18.436 1.613 1.00 24.42 H new ATOM 0 HD22 ASN A 44 -4.445 18.214 2.050 1.00 24.42 H new ATOM 734 N ASN A 45 -5.751 13.579 3.952 1.00 42.33 N ATOM 735 CA ASN A 45 -7.006 12.898 4.282 1.00 11.45 C ATOM 736 C ASN A 45 -6.926 12.156 5.611 1.00 34.04 C ATOM 737 O ASN A 45 -7.939 11.870 6.234 1.00 3.54 O ATOM 738 CB ASN A 45 -7.406 11.952 3.143 1.00 53.14 C ATOM 739 CG ASN A 45 -8.793 11.344 3.289 1.00 62.41 C ATOM 740 OD1 ASN A 45 -9.681 11.921 3.897 1.00 45.44 O ATOM 741 ND2 ASN A 45 -8.999 10.207 2.690 1.00 30.44 N ATOM 0 H ASN A 45 -5.127 13.046 3.347 1.00 42.33 H new ATOM 0 HA ASN A 45 -7.778 13.659 4.396 1.00 11.45 H new ATOM 0 HB2 ASN A 45 -7.359 12.498 2.201 1.00 53.14 H new ATOM 0 HB3 ASN A 45 -6.674 11.147 3.082 1.00 53.14 H new ATOM 0 HD21 ASN A 45 -9.922 9.774 2.721 1.00 30.44 H new ATOM 0 HD22 ASN A 45 -8.237 9.749 2.190 1.00 30.44 H new ATOM 748 N ASN A 46 -5.702 11.853 6.031 1.00 30.33 N ATOM 749 CA ASN A 46 -5.402 11.117 7.292 1.00 64.42 C ATOM 750 C ASN A 46 -5.934 9.673 7.226 1.00 44.44 C ATOM 751 O ASN A 46 -5.896 8.923 8.184 1.00 32.41 O ATOM 752 CB ASN A 46 -5.911 11.898 8.547 1.00 5.14 C ATOM 753 CG ASN A 46 -5.428 11.316 9.883 1.00 33.11 C ATOM 754 OD1 ASN A 46 -4.333 11.645 10.351 1.00 21.42 O ATOM 755 ND2 ASN A 46 -6.239 10.503 10.522 1.00 24.34 N ATOM 0 H ASN A 46 -4.864 12.109 5.508 1.00 30.33 H new ATOM 0 HA ASN A 46 -4.319 11.048 7.399 1.00 64.42 H new ATOM 0 HB2 ASN A 46 -5.583 12.935 8.474 1.00 5.14 H new ATOM 0 HB3 ASN A 46 -7.001 11.907 8.539 1.00 5.14 H new ATOM 0 HD21 ASN A 46 -5.971 10.125 11.431 1.00 24.34 H new ATOM 0 HD22 ASN A 46 -7.137 10.250 10.109 1.00 24.34 H new ATOM 762 N ARG A 47 -6.372 9.281 6.053 1.00 54.22 N ATOM 763 CA ARG A 47 -6.905 7.948 5.859 1.00 11.02 C ATOM 764 C ARG A 47 -5.929 7.156 5.069 1.00 1.22 C ATOM 765 O ARG A 47 -5.145 7.735 4.296 1.00 3.43 O ATOM 766 CB ARG A 47 -8.268 7.951 5.169 1.00 61.12 C ATOM 767 CG ARG A 47 -9.342 8.733 5.902 1.00 11.14 C ATOM 768 CD ARG A 47 -10.695 8.531 5.247 1.00 11.14 C ATOM 769 NE ARG A 47 -11.749 9.337 5.874 1.00 5.05 N ATOM 770 CZ ARG A 47 -13.029 8.965 5.998 1.00 12.25 C ATOM 771 NH1 ARG A 47 -13.415 7.758 5.600 1.00 4.00 N ATOM 772 NH2 ARG A 47 -13.923 9.802 6.525 1.00 73.40 N ATOM 0 H ARG A 47 -6.371 9.864 5.216 1.00 54.22 H new ATOM 0 HA ARG A 47 -7.059 7.499 6.840 1.00 11.02 H new ATOM 0 HB2 ARG A 47 -8.153 8.366 4.168 1.00 61.12 H new ATOM 0 HB3 ARG A 47 -8.603 6.921 5.050 1.00 61.12 H new ATOM 0 HG2 ARG A 47 -9.385 8.413 6.943 1.00 11.14 H new ATOM 0 HG3 ARG A 47 -9.089 9.793 5.905 1.00 11.14 H new ATOM 0 HD2 ARG A 47 -10.625 8.788 4.190 1.00 11.14 H new ATOM 0 HD3 ARG A 47 -10.967 7.477 5.301 1.00 11.14 H new ATOM 0 HE ARG A 47 -11.486 10.251 6.244 1.00 5.05 H new ATOM 0 HH11 ARG A 47 -12.735 7.112 5.199 1.00 4.00 H new ATOM 0 HH12 ARG A 47 -14.391 7.477 5.696 1.00 4.00 H new ATOM 0 HH21 ARG A 47 -13.633 10.729 6.835 1.00 73.40 H new ATOM 0 HH22 ARG A 47 -14.897 9.515 6.618 1.00 73.40 H new ATOM 786 N GLN A 48 -5.916 5.870 5.262 1.00 52.34 N ATOM 787 CA GLN A 48 -4.998 5.060 4.548 1.00 52.44 C ATOM 788 C GLN A 48 -5.711 4.308 3.460 1.00 64.30 C ATOM 789 O GLN A 48 -6.858 3.848 3.632 1.00 23.02 O ATOM 790 CB GLN A 48 -4.245 4.091 5.469 1.00 61.41 C ATOM 791 CG GLN A 48 -5.024 2.859 5.883 1.00 2.32 C ATOM 792 CD GLN A 48 -4.328 2.071 6.970 1.00 33.42 C ATOM 793 OE1 GLN A 48 -3.588 2.631 7.785 1.00 14.03 O ATOM 794 NE2 GLN A 48 -4.566 0.786 7.015 1.00 74.13 N ATOM 0 H GLN A 48 -6.530 5.370 5.905 1.00 52.34 H new ATOM 0 HA GLN A 48 -4.255 5.720 4.101 1.00 52.44 H new ATOM 0 HB2 GLN A 48 -3.332 3.772 4.966 1.00 61.41 H new ATOM 0 HB3 GLN A 48 -3.943 4.629 6.367 1.00 61.41 H new ATOM 0 HG2 GLN A 48 -6.012 3.158 6.232 1.00 2.32 H new ATOM 0 HG3 GLN A 48 -5.173 2.219 5.014 1.00 2.32 H new ATOM 0 HE21 GLN A 48 -5.183 0.357 6.325 1.00 74.13 H new ATOM 0 HE22 GLN A 48 -4.135 0.213 7.740 1.00 74.13 H new ATOM 803 N VAL A 49 -5.076 4.219 2.346 1.00 64.23 N ATOM 804 CA VAL A 49 -5.562 3.430 1.263 1.00 14.14 C ATOM 805 C VAL A 49 -4.506 2.443 0.868 1.00 11.33 C ATOM 806 O VAL A 49 -3.314 2.747 0.939 1.00 3.42 O ATOM 807 CB VAL A 49 -5.971 4.291 0.023 1.00 51.33 C ATOM 808 CG1 VAL A 49 -7.172 5.158 0.342 1.00 71.12 C ATOM 809 CG2 VAL A 49 -4.810 5.166 -0.451 1.00 15.23 C ATOM 0 H VAL A 49 -4.195 4.696 2.155 1.00 64.23 H new ATOM 0 HA VAL A 49 -6.462 2.919 1.604 1.00 14.14 H new ATOM 0 HB VAL A 49 -6.235 3.603 -0.780 1.00 51.33 H new ATOM 0 HG11 VAL A 49 -7.438 5.748 -0.535 1.00 71.12 H new ATOM 0 HG12 VAL A 49 -8.014 4.525 0.623 1.00 71.12 H new ATOM 0 HG13 VAL A 49 -6.929 5.826 1.168 1.00 71.12 H new ATOM 0 HG21 VAL A 49 -5.125 5.753 -1.314 1.00 15.23 H new ATOM 0 HG22 VAL A 49 -4.508 5.837 0.353 1.00 15.23 H new ATOM 0 HG23 VAL A 49 -3.968 4.533 -0.731 1.00 15.23 H new ATOM 819 N CYS A 50 -4.921 1.264 0.540 1.00 54.31 N ATOM 820 CA CYS A 50 -4.012 0.276 -0.015 1.00 42.35 C ATOM 821 C CYS A 50 -3.437 0.756 -1.337 1.00 24.10 C ATOM 822 O CYS A 50 -4.172 1.156 -2.231 1.00 74.21 O ATOM 823 CB CYS A 50 -4.683 -1.080 -0.157 1.00 11.21 C ATOM 824 SG CYS A 50 -5.102 -1.860 1.449 1.00 74.14 S ATOM 0 H CYS A 50 -5.885 0.946 0.641 1.00 54.31 H new ATOM 0 HA CYS A 50 -3.185 0.151 0.683 1.00 42.35 H new ATOM 0 HB2 CYS A 50 -5.594 -0.966 -0.745 1.00 11.21 H new ATOM 0 HB3 CYS A 50 -4.024 -1.746 -0.715 1.00 11.21 H new ATOM 829 N ILE A 51 -2.132 0.732 -1.445 1.00 54.45 N ATOM 830 CA ILE A 51 -1.457 1.264 -2.617 1.00 21.14 C ATOM 831 C ILE A 51 -1.136 0.151 -3.571 1.00 63.44 C ATOM 832 O ILE A 51 -0.758 -0.941 -3.148 1.00 10.22 O ATOM 833 CB ILE A 51 -0.103 1.902 -2.269 1.00 35.32 C ATOM 834 CG1 ILE A 51 -0.174 2.723 -1.001 1.00 65.13 C ATOM 835 CG2 ILE A 51 0.347 2.780 -3.425 1.00 62.05 C ATOM 836 CD1 ILE A 51 1.161 3.329 -0.627 1.00 21.22 C ATOM 0 H ILE A 51 -1.508 0.349 -0.735 1.00 54.45 H new ATOM 0 HA ILE A 51 -2.133 2.006 -3.043 1.00 21.14 H new ATOM 0 HB ILE A 51 0.616 1.100 -2.100 1.00 35.32 H new ATOM 0 HG12 ILE A 51 -0.908 3.519 -1.128 1.00 65.13 H new ATOM 0 HG13 ILE A 51 -0.525 2.093 -0.184 1.00 65.13 H new ATOM 0 HG21 ILE A 51 1.307 3.235 -3.184 1.00 62.05 H new ATOM 0 HG22 ILE A 51 0.449 2.173 -4.325 1.00 62.05 H new ATOM 0 HG23 ILE A 51 -0.392 3.562 -3.597 1.00 62.05 H new ATOM 0 HD11 ILE A 51 1.054 3.908 0.290 1.00 21.22 H new ATOM 0 HD12 ILE A 51 1.890 2.534 -0.471 1.00 21.22 H new ATOM 0 HD13 ILE A 51 1.502 3.982 -1.430 1.00 21.22 H new ATOM 848 N ASP A 52 -1.272 0.431 -4.843 1.00 1.52 N ATOM 849 CA ASP A 52 -0.899 -0.510 -5.882 1.00 41.25 C ATOM 850 C ASP A 52 0.633 -0.600 -5.961 1.00 73.11 C ATOM 851 O ASP A 52 1.308 0.404 -6.229 1.00 5.10 O ATOM 852 CB ASP A 52 -1.481 -0.065 -7.228 1.00 1.05 C ATOM 853 CG ASP A 52 -1.006 -0.899 -8.388 1.00 41.05 C ATOM 854 OD1 ASP A 52 -1.507 -2.036 -8.580 1.00 60.24 O ATOM 855 OD2 ASP A 52 -0.141 -0.421 -9.145 1.00 44.41 O ATOM 0 H ASP A 52 -1.643 1.315 -5.192 1.00 1.52 H new ATOM 0 HA ASP A 52 -1.302 -1.494 -5.643 1.00 41.25 H new ATOM 0 HB2 ASP A 52 -2.569 -0.111 -7.178 1.00 1.05 H new ATOM 0 HB3 ASP A 52 -1.213 0.977 -7.405 1.00 1.05 H new ATOM 860 N PRO A 53 1.197 -1.796 -5.724 1.00 53.01 N ATOM 861 CA PRO A 53 2.656 -2.012 -5.677 1.00 34.50 C ATOM 862 C PRO A 53 3.378 -1.844 -7.014 1.00 53.22 C ATOM 863 O PRO A 53 4.594 -2.032 -7.087 1.00 53.12 O ATOM 864 CB PRO A 53 2.791 -3.455 -5.194 1.00 52.54 C ATOM 865 CG PRO A 53 1.512 -4.103 -5.576 1.00 50.12 C ATOM 866 CD PRO A 53 0.458 -3.043 -5.448 1.00 62.24 C ATOM 0 HA PRO A 53 3.121 -1.264 -5.035 1.00 34.50 H new ATOM 0 HB2 PRO A 53 3.641 -3.951 -5.662 1.00 52.54 H new ATOM 0 HB3 PRO A 53 2.950 -3.498 -4.117 1.00 52.54 H new ATOM 0 HG2 PRO A 53 1.558 -4.487 -6.595 1.00 50.12 H new ATOM 0 HG3 PRO A 53 1.294 -4.950 -4.926 1.00 50.12 H new ATOM 0 HD2 PRO A 53 -0.354 -3.195 -6.159 1.00 62.24 H new ATOM 0 HD3 PRO A 53 0.013 -3.036 -4.453 1.00 62.24 H new ATOM 874 N LYS A 54 2.662 -1.491 -8.060 1.00 22.03 N ATOM 875 CA LYS A 54 3.293 -1.321 -9.348 1.00 3.22 C ATOM 876 C LYS A 54 3.828 0.093 -9.495 1.00 71.52 C ATOM 877 O LYS A 54 4.523 0.415 -10.476 1.00 13.31 O ATOM 878 CB LYS A 54 2.344 -1.669 -10.497 1.00 0.11 C ATOM 879 CG LYS A 54 1.783 -3.088 -10.447 1.00 70.04 C ATOM 880 CD LYS A 54 2.887 -4.133 -10.458 1.00 53.23 C ATOM 881 CE LYS A 54 2.319 -5.541 -10.430 1.00 42.22 C ATOM 882 NZ LYS A 54 3.387 -6.560 -10.415 1.00 52.51 N ATOM 0 H LYS A 54 1.657 -1.319 -8.044 1.00 22.03 H new ATOM 0 HA LYS A 54 4.130 -2.017 -9.400 1.00 3.22 H new ATOM 0 HB2 LYS A 54 1.513 -0.963 -10.492 1.00 0.11 H new ATOM 0 HB3 LYS A 54 2.872 -1.534 -11.441 1.00 0.11 H new ATOM 0 HG2 LYS A 54 1.178 -3.208 -9.548 1.00 70.04 H new ATOM 0 HG3 LYS A 54 1.123 -3.248 -11.299 1.00 70.04 H new ATOM 0 HD2 LYS A 54 3.502 -4.005 -11.349 1.00 53.23 H new ATOM 0 HD3 LYS A 54 3.539 -3.985 -9.597 1.00 53.23 H new ATOM 0 HE2 LYS A 54 1.688 -5.662 -9.549 1.00 42.22 H new ATOM 0 HE3 LYS A 54 1.682 -5.694 -11.301 1.00 42.22 H new ATOM 0 HZ1 LYS A 54 2.961 -7.509 -10.396 1.00 52.51 H new ATOM 0 HZ2 LYS A 54 3.974 -6.461 -11.268 1.00 52.51 H new ATOM 0 HZ3 LYS A 54 3.980 -6.429 -9.570 1.00 52.51 H new ATOM 896 N LEU A 55 3.503 0.949 -8.523 1.00 43.42 N ATOM 897 CA LEU A 55 4.032 2.304 -8.504 1.00 5.20 C ATOM 898 C LEU A 55 5.545 2.281 -8.334 1.00 34.13 C ATOM 899 O LEU A 55 6.076 1.732 -7.362 1.00 2.04 O ATOM 900 CB LEU A 55 3.382 3.165 -7.416 1.00 72.42 C ATOM 901 CG LEU A 55 1.886 3.452 -7.569 1.00 22.42 C ATOM 902 CD1 LEU A 55 1.386 4.272 -6.399 1.00 50.12 C ATOM 903 CD2 LEU A 55 1.621 4.197 -8.855 1.00 51.01 C ATOM 0 H LEU A 55 2.880 0.725 -7.747 1.00 43.42 H new ATOM 0 HA LEU A 55 3.788 2.760 -9.463 1.00 5.20 H new ATOM 0 HB2 LEU A 55 3.538 2.674 -6.455 1.00 72.42 H new ATOM 0 HB3 LEU A 55 3.909 4.118 -7.376 1.00 72.42 H new ATOM 0 HG LEU A 55 1.356 2.500 -7.593 1.00 22.42 H new ATOM 0 HD11 LEU A 55 0.321 4.469 -6.521 1.00 50.12 H new ATOM 0 HD12 LEU A 55 1.549 3.721 -5.473 1.00 50.12 H new ATOM 0 HD13 LEU A 55 1.927 5.217 -6.360 1.00 50.12 H new ATOM 0 HD21 LEU A 55 0.553 4.393 -8.948 1.00 51.01 H new ATOM 0 HD22 LEU A 55 2.164 5.142 -8.847 1.00 51.01 H new ATOM 0 HD23 LEU A 55 1.954 3.594 -9.700 1.00 51.01 H new ATOM 915 N LYS A 56 6.209 2.878 -9.279 1.00 31.52 N ATOM 916 CA LYS A 56 7.660 2.928 -9.358 1.00 44.34 C ATOM 917 C LYS A 56 8.260 3.661 -8.157 1.00 74.42 C ATOM 918 O LYS A 56 9.315 3.268 -7.654 1.00 45.54 O ATOM 919 CB LYS A 56 8.053 3.549 -10.736 1.00 4.53 C ATOM 920 CG LYS A 56 9.549 3.728 -11.080 1.00 3.25 C ATOM 921 CD LYS A 56 10.208 4.913 -10.369 1.00 32.52 C ATOM 922 CE LYS A 56 11.612 5.148 -10.910 1.00 75.03 C ATOM 923 NZ LYS A 56 12.275 6.322 -10.301 1.00 64.11 N ATOM 0 H LYS A 56 5.750 3.364 -10.049 1.00 31.52 H new ATOM 0 HA LYS A 56 8.082 1.924 -9.307 1.00 44.34 H new ATOM 0 HB2 LYS A 56 7.609 2.929 -11.515 1.00 4.53 H new ATOM 0 HB3 LYS A 56 7.581 4.529 -10.801 1.00 4.53 H new ATOM 0 HG2 LYS A 56 10.084 2.815 -10.818 1.00 3.25 H new ATOM 0 HG3 LYS A 56 9.652 3.860 -12.157 1.00 3.25 H new ATOM 0 HD2 LYS A 56 9.604 5.810 -10.508 1.00 32.52 H new ATOM 0 HD3 LYS A 56 10.253 4.722 -9.297 1.00 32.52 H new ATOM 0 HE2 LYS A 56 12.219 4.260 -10.730 1.00 75.03 H new ATOM 0 HE3 LYS A 56 11.561 5.285 -11.990 1.00 75.03 H new ATOM 0 HZ1 LYS A 56 12.733 6.887 -11.045 1.00 64.11 H new ATOM 0 HZ2 LYS A 56 11.567 6.905 -9.810 1.00 64.11 H new ATOM 0 HZ3 LYS A 56 12.992 6.001 -9.619 1.00 64.11 H new ATOM 937 N TRP A 57 7.580 4.700 -7.669 1.00 52.45 N ATOM 938 CA TRP A 57 8.106 5.430 -6.525 1.00 62.11 C ATOM 939 C TRP A 57 8.046 4.562 -5.255 1.00 34.20 C ATOM 940 O TRP A 57 8.905 4.662 -4.389 1.00 1.40 O ATOM 941 CB TRP A 57 7.413 6.817 -6.306 1.00 33.10 C ATOM 942 CG TRP A 57 5.971 6.790 -5.834 1.00 13.15 C ATOM 943 CD1 TRP A 57 4.839 6.955 -6.581 1.00 4.21 C ATOM 944 CD2 TRP A 57 5.531 6.600 -4.485 1.00 24.32 C ATOM 945 NE1 TRP A 57 3.727 6.878 -5.770 1.00 32.02 N ATOM 946 CE2 TRP A 57 4.132 6.652 -4.482 1.00 52.04 C ATOM 947 CE3 TRP A 57 6.197 6.384 -3.282 1.00 44.25 C ATOM 948 CZ2 TRP A 57 3.390 6.495 -3.312 1.00 42.42 C ATOM 949 CZ3 TRP A 57 5.465 6.227 -2.139 1.00 14.12 C ATOM 950 CH2 TRP A 57 4.076 6.286 -2.158 1.00 11.20 C ATOM 0 H TRP A 57 6.693 5.043 -8.037 1.00 52.45 H new ATOM 0 HA TRP A 57 9.150 5.652 -6.746 1.00 62.11 H new ATOM 0 HB2 TRP A 57 7.999 7.379 -5.579 1.00 33.10 H new ATOM 0 HB3 TRP A 57 7.454 7.370 -7.244 1.00 33.10 H new ATOM 0 HD1 TRP A 57 4.818 7.121 -7.648 1.00 4.21 H new ATOM 0 HE1 TRP A 57 2.760 6.974 -6.079 1.00 32.02 H new ATOM 0 HE3 TRP A 57 7.276 6.341 -3.252 1.00 44.25 H new ATOM 0 HZ2 TRP A 57 2.311 6.538 -3.323 1.00 42.42 H new ATOM 0 HZ3 TRP A 57 5.975 6.054 -1.203 1.00 14.12 H new ATOM 0 HH2 TRP A 57 3.530 6.163 -1.234 1.00 11.20 H new ATOM 961 N ILE A 58 7.031 3.694 -5.182 1.00 65.11 N ATOM 962 CA ILE A 58 6.834 2.801 -4.037 1.00 4.15 C ATOM 963 C ILE A 58 8.015 1.876 -3.855 1.00 25.20 C ATOM 964 O ILE A 58 8.618 1.823 -2.790 1.00 61.12 O ATOM 965 CB ILE A 58 5.539 1.940 -4.244 1.00 23.24 C ATOM 966 CG1 ILE A 58 4.282 2.741 -3.933 1.00 51.35 C ATOM 967 CG2 ILE A 58 5.572 0.647 -3.439 1.00 22.33 C ATOM 968 CD1 ILE A 58 4.140 3.056 -2.485 1.00 64.44 C ATOM 0 H ILE A 58 6.326 3.592 -5.912 1.00 65.11 H new ATOM 0 HA ILE A 58 6.732 3.421 -3.146 1.00 4.15 H new ATOM 0 HB ILE A 58 5.513 1.664 -5.298 1.00 23.24 H new ATOM 0 HG12 ILE A 58 4.299 3.671 -4.502 1.00 51.35 H new ATOM 0 HG13 ILE A 58 3.408 2.180 -4.265 1.00 51.35 H new ATOM 0 HG21 ILE A 58 4.655 0.085 -3.615 1.00 22.33 H new ATOM 0 HG22 ILE A 58 6.429 0.048 -3.747 1.00 22.33 H new ATOM 0 HG23 ILE A 58 5.656 0.881 -2.378 1.00 22.33 H new ATOM 0 HD11 ILE A 58 3.226 3.628 -2.325 1.00 64.44 H new ATOM 0 HD12 ILE A 58 4.093 2.129 -1.914 1.00 64.44 H new ATOM 0 HD13 ILE A 58 4.997 3.642 -2.154 1.00 64.44 H new ATOM 980 N GLN A 59 8.372 1.209 -4.903 1.00 63.31 N ATOM 981 CA GLN A 59 9.424 0.240 -4.848 1.00 33.12 C ATOM 982 C GLN A 59 10.786 0.896 -4.713 1.00 72.34 C ATOM 983 O GLN A 59 11.680 0.355 -4.094 1.00 54.50 O ATOM 984 CB GLN A 59 9.327 -0.713 -6.024 1.00 20.02 C ATOM 985 CG GLN A 59 9.285 -0.048 -7.381 1.00 51.12 C ATOM 986 CD GLN A 59 8.985 -1.030 -8.483 1.00 63.10 C ATOM 987 OE1 GLN A 59 9.413 -0.861 -9.620 1.00 42.22 O ATOM 988 NE2 GLN A 59 8.244 -2.066 -8.163 1.00 14.21 N ATOM 0 H GLN A 59 7.945 1.318 -5.823 1.00 63.31 H new ATOM 0 HA GLN A 59 9.301 -0.359 -3.945 1.00 33.12 H new ATOM 0 HB2 GLN A 59 10.180 -1.391 -5.994 1.00 20.02 H new ATOM 0 HB3 GLN A 59 8.431 -1.322 -5.906 1.00 20.02 H new ATOM 0 HG2 GLN A 59 8.527 0.735 -7.377 1.00 51.12 H new ATOM 0 HG3 GLN A 59 10.242 0.436 -7.577 1.00 51.12 H new ATOM 0 HE21 GLN A 59 7.905 -2.175 -7.207 1.00 14.21 H new ATOM 0 HE22 GLN A 59 8.007 -2.762 -8.870 1.00 14.21 H new ATOM 997 N GLU A 60 10.927 2.081 -5.252 1.00 3.42 N ATOM 998 CA GLU A 60 12.186 2.813 -5.161 1.00 53.03 C ATOM 999 C GLU A 60 12.444 3.283 -3.728 1.00 23.21 C ATOM 1000 O GLU A 60 13.588 3.505 -3.312 1.00 4.33 O ATOM 1001 CB GLU A 60 12.183 3.996 -6.121 1.00 34.25 C ATOM 1002 CG GLU A 60 13.434 4.847 -6.077 1.00 63.20 C ATOM 1003 CD GLU A 60 13.313 6.066 -6.931 1.00 2.32 C ATOM 1004 OE1 GLU A 60 12.809 7.104 -6.443 1.00 3.31 O ATOM 1005 OE2 GLU A 60 13.711 6.021 -8.104 1.00 34.44 O ATOM 0 H GLU A 60 10.190 2.568 -5.761 1.00 3.42 H new ATOM 0 HA GLU A 60 12.994 2.138 -5.444 1.00 53.03 H new ATOM 0 HB2 GLU A 60 12.049 3.623 -7.136 1.00 34.25 H new ATOM 0 HB3 GLU A 60 11.323 4.627 -5.897 1.00 34.25 H new ATOM 0 HG2 GLU A 60 13.634 5.144 -5.048 1.00 63.20 H new ATOM 0 HG3 GLU A 60 14.287 4.255 -6.409 1.00 63.20 H new ATOM 1012 N TYR A 61 11.409 3.366 -2.987 1.00 10.43 N ATOM 1013 CA TYR A 61 11.468 3.876 -1.672 1.00 54.44 C ATOM 1014 C TYR A 61 11.424 2.724 -0.700 1.00 22.40 C ATOM 1015 O TYR A 61 12.398 2.423 -0.027 1.00 60.34 O ATOM 1016 CB TYR A 61 10.296 4.866 -1.495 1.00 43.02 C ATOM 1017 CG TYR A 61 10.094 5.480 -0.127 1.00 5.42 C ATOM 1018 CD1 TYR A 61 11.129 5.618 0.783 1.00 31.03 C ATOM 1019 CD2 TYR A 61 8.838 5.940 0.237 1.00 32.33 C ATOM 1020 CE1 TYR A 61 10.911 6.196 2.023 1.00 11.02 C ATOM 1021 CE2 TYR A 61 8.606 6.515 1.460 1.00 3.33 C ATOM 1022 CZ TYR A 61 9.644 6.643 2.359 1.00 1.11 C ATOM 1023 OH TYR A 61 9.415 7.221 3.602 1.00 71.13 O ATOM 0 H TYR A 61 10.477 3.076 -3.282 1.00 10.43 H new ATOM 0 HA TYR A 61 12.395 4.417 -1.480 1.00 54.44 H new ATOM 0 HB2 TYR A 61 10.432 5.677 -2.210 1.00 43.02 H new ATOM 0 HB3 TYR A 61 9.376 4.349 -1.770 1.00 43.02 H new ATOM 0 HD1 TYR A 61 12.118 5.271 0.523 1.00 31.03 H new ATOM 0 HD2 TYR A 61 8.020 5.843 -0.462 1.00 32.33 H new ATOM 0 HE1 TYR A 61 11.726 6.298 2.725 1.00 11.02 H new ATOM 0 HE2 TYR A 61 7.617 6.865 1.717 1.00 3.33 H new ATOM 0 HH TYR A 61 8.473 7.480 3.674 1.00 71.13 H new ATOM 1033 N LEU A 62 10.344 2.041 -0.700 1.00 0.22 N ATOM 1034 CA LEU A 62 10.131 0.950 0.217 1.00 53.20 C ATOM 1035 C LEU A 62 10.956 -0.277 -0.102 1.00 63.40 C ATOM 1036 O LEU A 62 11.311 -1.024 0.792 1.00 43.44 O ATOM 1037 CB LEU A 62 8.661 0.570 0.288 1.00 54.43 C ATOM 1038 CG LEU A 62 7.687 1.541 0.966 1.00 22.10 C ATOM 1039 CD1 LEU A 62 8.108 1.855 2.389 1.00 22.33 C ATOM 1040 CD2 LEU A 62 7.514 2.797 0.156 1.00 34.21 C ATOM 0 H LEU A 62 9.565 2.212 -1.336 1.00 0.22 H new ATOM 0 HA LEU A 62 10.463 1.319 1.188 1.00 53.20 H new ATOM 0 HB2 LEU A 62 8.311 0.407 -0.731 1.00 54.43 H new ATOM 0 HB3 LEU A 62 8.590 -0.386 0.806 1.00 54.43 H new ATOM 0 HG LEU A 62 6.718 1.045 1.018 1.00 22.10 H new ATOM 0 HD11 LEU A 62 7.393 2.546 2.836 1.00 22.33 H new ATOM 0 HD12 LEU A 62 8.136 0.934 2.972 1.00 22.33 H new ATOM 0 HD13 LEU A 62 9.098 2.311 2.383 1.00 22.33 H new ATOM 0 HD21 LEU A 62 6.818 3.464 0.664 1.00 34.21 H new ATOM 0 HD22 LEU A 62 8.478 3.294 0.045 1.00 34.21 H new ATOM 0 HD23 LEU A 62 7.121 2.544 -0.829 1.00 34.21 H new ATOM 1052 N GLU A 63 11.311 -0.463 -1.338 1.00 51.54 N ATOM 1053 CA GLU A 63 11.991 -1.693 -1.691 1.00 62.23 C ATOM 1054 C GLU A 63 13.460 -1.473 -1.894 1.00 72.33 C ATOM 1055 O GLU A 63 14.261 -2.376 -1.698 1.00 52.41 O ATOM 1056 CB GLU A 63 11.338 -2.404 -2.889 1.00 42.32 C ATOM 1057 CG GLU A 63 9.954 -2.981 -2.591 1.00 41.21 C ATOM 1058 CD GLU A 63 10.002 -4.135 -1.603 1.00 32.21 C ATOM 1059 OE1 GLU A 63 10.066 -3.898 -0.380 1.00 2.33 O ATOM 1060 OE2 GLU A 63 9.991 -5.306 -2.053 1.00 74.00 O ATOM 0 H GLU A 63 11.152 0.192 -2.104 1.00 51.54 H new ATOM 0 HA GLU A 63 11.882 -2.368 -0.842 1.00 62.23 H new ATOM 0 HB2 GLU A 63 11.256 -1.699 -3.716 1.00 42.32 H new ATOM 0 HB3 GLU A 63 11.993 -3.210 -3.221 1.00 42.32 H new ATOM 0 HG2 GLU A 63 9.314 -2.193 -2.193 1.00 41.21 H new ATOM 0 HG3 GLU A 63 9.499 -3.322 -3.521 1.00 41.21 H new ATOM 1067 N LYS A 64 13.828 -0.269 -2.253 1.00 74.30 N ATOM 1068 CA LYS A 64 15.217 0.007 -2.512 1.00 2.03 C ATOM 1069 C LYS A 64 15.865 0.658 -1.310 1.00 34.32 C ATOM 1070 O LYS A 64 17.031 0.431 -1.033 1.00 74.11 O ATOM 1071 CB LYS A 64 15.394 0.891 -3.750 1.00 35.02 C ATOM 1072 CG LYS A 64 14.745 0.360 -5.028 1.00 53.52 C ATOM 1073 CD LYS A 64 15.330 -0.960 -5.477 1.00 23.42 C ATOM 1074 CE LYS A 64 14.633 -1.472 -6.730 1.00 73.11 C ATOM 1075 NZ LYS A 64 14.734 -0.525 -7.862 1.00 71.12 N ATOM 0 H LYS A 64 13.197 0.523 -2.371 1.00 74.30 H new ATOM 0 HA LYS A 64 15.709 -0.946 -2.706 1.00 2.03 H new ATOM 0 HB2 LYS A 64 14.981 1.877 -3.535 1.00 35.02 H new ATOM 0 HB3 LYS A 64 16.460 1.025 -3.932 1.00 35.02 H new ATOM 0 HG2 LYS A 64 13.674 0.241 -4.864 1.00 53.52 H new ATOM 0 HG3 LYS A 64 14.865 1.095 -5.824 1.00 53.52 H new ATOM 0 HD2 LYS A 64 16.396 -0.841 -5.673 1.00 23.42 H new ATOM 0 HD3 LYS A 64 15.233 -1.695 -4.678 1.00 23.42 H new ATOM 0 HE2 LYS A 64 15.070 -2.428 -7.020 1.00 73.11 H new ATOM 0 HE3 LYS A 64 13.582 -1.656 -6.508 1.00 73.11 H new ATOM 0 HZ1 LYS A 64 14.444 -1.001 -8.740 1.00 71.12 H new ATOM 0 HZ2 LYS A 64 14.112 0.290 -7.689 1.00 71.12 H new ATOM 0 HZ3 LYS A 64 15.717 -0.197 -7.954 1.00 71.12 H new ATOM 1089 N ALA A 65 15.109 1.452 -0.583 1.00 33.24 N ATOM 1090 CA ALA A 65 15.684 2.161 0.562 1.00 71.13 C ATOM 1091 C ALA A 65 15.372 1.441 1.851 1.00 31.14 C ATOM 1092 O ALA A 65 16.247 1.227 2.690 1.00 64.32 O ATOM 1093 CB ALA A 65 15.166 3.593 0.618 1.00 31.20 C ATOM 0 H ALA A 65 14.118 1.627 -0.750 1.00 33.24 H new ATOM 0 HA ALA A 65 16.766 2.186 0.436 1.00 71.13 H new ATOM 0 HB1 ALA A 65 15.604 4.105 1.475 1.00 31.20 H new ATOM 0 HB2 ALA A 65 15.443 4.116 -0.297 1.00 31.20 H new ATOM 0 HB3 ALA A 65 14.080 3.584 0.716 1.00 31.20 H new ATOM 1099 N LEU A 66 14.128 1.048 1.996 1.00 74.41 N ATOM 1100 CA LEU A 66 13.684 0.351 3.195 1.00 71.35 C ATOM 1101 C LEU A 66 14.090 -1.086 3.202 1.00 61.41 C ATOM 1102 O LEU A 66 14.543 -1.611 4.218 1.00 15.54 O ATOM 1103 CB LEU A 66 12.162 0.432 3.366 1.00 2.11 C ATOM 1104 CG LEU A 66 11.562 1.715 3.979 1.00 31.12 C ATOM 1105 CD1 LEU A 66 12.066 1.924 5.394 1.00 3.42 C ATOM 1106 CD2 LEU A 66 11.853 2.939 3.132 1.00 34.00 C ATOM 0 H LEU A 66 13.398 1.197 1.299 1.00 74.41 H new ATOM 0 HA LEU A 66 14.173 0.858 4.027 1.00 71.35 H new ATOM 0 HB2 LEU A 66 11.709 0.289 2.385 1.00 2.11 H new ATOM 0 HB3 LEU A 66 11.852 -0.409 3.986 1.00 2.11 H new ATOM 0 HG LEU A 66 10.481 1.581 4.006 1.00 31.12 H new ATOM 0 HD11 LEU A 66 11.629 2.834 5.805 1.00 3.42 H new ATOM 0 HD12 LEU A 66 11.779 1.073 6.012 1.00 3.42 H new ATOM 0 HD13 LEU A 66 13.152 2.015 5.384 1.00 3.42 H new ATOM 0 HD21 LEU A 66 11.412 3.819 3.601 1.00 34.00 H new ATOM 0 HD22 LEU A 66 12.931 3.075 3.047 1.00 34.00 H new ATOM 0 HD23 LEU A 66 11.425 2.804 2.139 1.00 34.00 H new ATOM 1118 N ASN A 67 13.940 -1.721 2.088 1.00 63.41 N ATOM 1119 CA ASN A 67 14.172 -3.130 2.016 1.00 42.53 C ATOM 1120 C ASN A 67 15.632 -3.368 1.705 1.00 1.13 C ATOM 1121 O ASN A 67 16.282 -4.193 2.355 1.00 12.31 O ATOM 1122 CB ASN A 67 13.258 -3.709 0.966 1.00 13.02 C ATOM 1123 CG ASN A 67 13.075 -5.190 1.051 1.00 25.11 C ATOM 1124 OD1 ASN A 67 13.973 -5.944 1.427 1.00 61.00 O ATOM 1125 ND2 ASN A 67 11.889 -5.603 0.744 1.00 74.44 N ATOM 0 H ASN A 67 13.657 -1.287 1.210 1.00 63.41 H new ATOM 0 HA ASN A 67 13.953 -3.623 2.963 1.00 42.53 H new ATOM 0 HB2 ASN A 67 12.282 -3.230 1.048 1.00 13.02 H new ATOM 0 HB3 ASN A 67 13.654 -3.461 -0.019 1.00 13.02 H new ATOM 0 HD21 ASN A 67 11.662 -6.595 0.808 1.00 74.44 H new ATOM 0 HD22 ASN A 67 11.180 -4.936 0.438 1.00 74.44 H new ATOM 1132 N LYS A 68 16.136 -2.620 0.714 1.00 62.33 N ATOM 1133 CA LYS A 68 17.546 -2.581 0.364 1.00 23.15 C ATOM 1134 C LYS A 68 18.041 -3.920 -0.187 1.00 31.11 C ATOM 1135 O LYS A 68 18.438 -4.803 0.589 1.00 37.78 O ATOM 1136 CB LYS A 68 18.368 -2.086 1.567 1.00 14.34 C ATOM 1137 CG LYS A 68 19.848 -1.987 1.334 1.00 2.31 C ATOM 1138 CD LYS A 68 20.537 -1.451 2.569 1.00 24.33 C ATOM 1139 CE LYS A 68 22.030 -1.371 2.381 1.00 14.43 C ATOM 1140 NZ LYS A 68 22.705 -0.799 3.562 1.00 24.44 N ATOM 1141 OXT LYS A 68 18.011 -4.097 -1.412 1.00 37.78 O ATOM 0 H LYS A 68 15.558 -2.018 0.128 1.00 62.33 H new ATOM 0 HA LYS A 68 17.684 -1.869 -0.449 1.00 23.15 H new ATOM 0 HB2 LYS A 68 17.996 -1.104 1.861 1.00 14.34 H new ATOM 0 HB3 LYS A 68 18.193 -2.758 2.407 1.00 14.34 H new ATOM 0 HG2 LYS A 68 20.250 -2.968 1.081 1.00 2.31 H new ATOM 0 HG3 LYS A 68 20.047 -1.333 0.485 1.00 2.31 H new ATOM 0 HD2 LYS A 68 20.146 -0.461 2.804 1.00 24.33 H new ATOM 0 HD3 LYS A 68 20.311 -2.093 3.420 1.00 24.33 H new ATOM 0 HE2 LYS A 68 22.425 -2.368 2.185 1.00 14.43 H new ATOM 0 HE3 LYS A 68 22.253 -0.762 1.505 1.00 14.43 H new ATOM 0 HZ1 LYS A 68 23.730 -0.762 3.392 1.00 24.44 H new ATOM 0 HZ2 LYS A 68 22.347 0.162 3.735 1.00 24.44 H new ATOM 0 HZ3 LYS A 68 22.514 -1.394 4.393 1.00 24.44 H new TER 1155 LYS A 68