USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 124:sc= 0.921 USER MOD Set 1.2: A 72 TYR OH : rot 110:sc= 0.831 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 ASN : amide:sc= -2.84! C(o=-2.8!,f=-4.2!) USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 35 SER OG : rot -54:sc= -0.362! USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0.927 USER MOD Set 4.2: A 62 THR OG1 : rot -80:sc= 1.11 USER MOD Single : A 0 SER N :NH3+ -135:sc= -1.92! (180deg=-4.26!) USER MOD Single : A 0 SER OG : rot 180:sc= -1.35 USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.075 (180deg=-0.453) USER MOD Single : A 12 ASN : amide:sc= -0.87 K(o=-0.87,f=-0.0011) USER MOD Single : A 14 THR OG1 : rot 94:sc= 1.14 USER MOD Single : A 16 HIS : no HD1:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= 0.0932 (180deg=-0.153) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 123:sc= 1.02 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= 0.869 (180deg=0.415) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 144:sc= 0.0486 (180deg=-0.0268) USER MOD Single : A 52 ASN : amide:sc= -6.28! C(o=-6.3!,f=-4.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.927 X(o=-0.93,f=-0.65) USER MOD Single : A 64 SER OG : rot 180:sc= -0.676 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.23! C(o=-8.2!,f=-8.7!) USER MOD Single : A 86 SER OG : rot -113:sc= 0.796 USER MOD Single : A 89 SER OG : rot 77:sc= 0.208 USER MOD Single : A 92 SER OG : rot -41:sc= -0.16 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 66:sc= -0.998! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -22.275 -4.472 -4.064 1.00 2.05 N ATOM 2 CA SER A 0 -22.217 -5.834 -4.665 1.00 1.55 C ATOM 3 C SER A 0 -20.938 -6.023 -5.482 1.00 1.39 C ATOM 4 O SER A 0 -20.214 -7.001 -5.296 1.00 1.50 O ATOM 5 CB SER A 0 -23.465 -6.046 -5.539 1.00 2.08 C ATOM 6 OG SER A 0 -23.140 -6.125 -6.919 1.00 2.74 O ATOM 0 H1 SER A 0 -22.574 -4.543 -3.070 1.00 2.05 H new ATOM 0 H2 SER A 0 -21.334 -4.031 -4.112 1.00 2.05 H new ATOM 0 H3 SER A 0 -22.958 -3.889 -4.590 1.00 2.05 H new ATOM 0 HA SER A 0 -22.201 -6.578 -3.868 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.971 -6.961 -5.233 1.00 2.08 H new ATOM 0 HB3 SER A 0 -24.164 -5.226 -5.378 1.00 2.08 H new ATOM 0 HG SER A 0 -23.958 -6.261 -7.441 1.00 2.74 H new ATOM 12 N PRO A 1 -20.642 -5.087 -6.401 1.00 1.23 N ATOM 13 CA PRO A 1 -19.450 -5.155 -7.246 1.00 1.19 C ATOM 14 C PRO A 1 -18.193 -4.709 -6.504 1.00 1.24 C ATOM 15 O PRO A 1 -17.123 -5.282 -6.689 1.00 2.06 O ATOM 16 CB PRO A 1 -19.758 -4.184 -8.399 1.00 1.18 C ATOM 17 CG PRO A 1 -21.140 -3.660 -8.153 1.00 1.26 C ATOM 18 CD PRO A 1 -21.436 -3.892 -6.699 1.00 1.24 C ATOM 0 HA PRO A 1 -19.249 -6.174 -7.576 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.033 -3.370 -8.426 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -19.701 -4.693 -9.361 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.201 -2.599 -8.396 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -21.867 -4.173 -8.783 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -21.138 -3.043 -6.084 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -22.499 -4.056 -6.522 1.00 1.24 H new ATOM 26 N ILE A 2 -18.353 -3.680 -5.669 1.00 0.68 N ATOM 27 CA ILE A 2 -17.261 -3.107 -4.873 1.00 0.61 C ATOM 28 C ILE A 2 -16.054 -2.711 -5.722 1.00 0.57 C ATOM 29 O ILE A 2 -15.647 -3.428 -6.633 1.00 0.63 O ATOM 30 CB ILE A 2 -16.792 -4.040 -3.733 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.922 -3.240 -2.765 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.030 -5.246 -4.269 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.371 -4.041 -1.598 1.00 0.56 C ATOM 0 H ILE A 2 -19.250 -3.216 -5.524 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.689 -2.207 -4.431 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.669 -4.424 -3.212 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.088 -2.809 -3.319 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.508 -2.409 -2.373 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.717 -5.878 -3.438 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.676 -5.817 -4.936 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.151 -4.907 -4.818 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.766 -3.392 -0.965 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.196 -4.450 -1.015 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.754 -4.857 -1.975 1.00 0.56 H new ATOM 45 N ASP A 3 -15.481 -1.555 -5.403 1.00 0.55 N ATOM 46 CA ASP A 3 -14.314 -1.059 -6.129 1.00 0.54 C ATOM 47 C ASP A 3 -13.239 -0.567 -5.160 1.00 0.47 C ATOM 48 O ASP A 3 -13.487 0.339 -4.363 1.00 0.49 O ATOM 49 CB ASP A 3 -14.723 0.075 -7.070 1.00 0.61 C ATOM 50 CG ASP A 3 -16.133 0.566 -6.806 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.376 1.104 -5.705 1.00 2.00 O ATOM 52 OD2 ASP A 3 -16.992 0.410 -7.698 1.00 1.64 O ATOM 0 H ASP A 3 -15.803 -0.946 -4.651 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.902 -1.881 -6.714 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.025 0.905 -6.959 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.648 -0.268 -8.102 1.00 0.61 H new ATOM 57 N PRO A 4 -12.025 -1.151 -5.205 1.00 0.44 N ATOM 58 CA PRO A 4 -10.933 -0.749 -4.318 1.00 0.41 C ATOM 59 C PRO A 4 -10.301 0.576 -4.737 1.00 0.38 C ATOM 60 O PRO A 4 -10.595 1.103 -5.809 1.00 0.43 O ATOM 61 CB PRO A 4 -9.933 -1.898 -4.440 1.00 0.45 C ATOM 62 CG PRO A 4 -10.160 -2.451 -5.807 1.00 0.50 C ATOM 63 CD PRO A 4 -11.622 -2.242 -6.117 1.00 0.50 C ATOM 0 HA PRO A 4 -11.275 -0.580 -3.297 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.908 -1.546 -4.320 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.102 -2.654 -3.673 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.532 -1.944 -6.540 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -9.903 -3.510 -5.845 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.774 -1.967 -7.161 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.202 -3.147 -5.938 1.00 0.50 H new ATOM 71 N PRO A 5 -9.426 1.135 -3.885 1.00 0.37 N ATOM 72 CA PRO A 5 -8.758 2.410 -4.158 1.00 0.39 C ATOM 73 C PRO A 5 -8.021 2.429 -5.495 1.00 0.38 C ATOM 74 O PRO A 5 -8.147 1.510 -6.304 1.00 0.47 O ATOM 75 CB PRO A 5 -7.762 2.574 -3.005 1.00 0.46 C ATOM 76 CG PRO A 5 -7.749 1.277 -2.268 1.00 0.71 C ATOM 77 CD PRO A 5 -9.034 0.571 -2.586 1.00 0.43 C ATOM 0 HA PRO A 5 -9.486 3.218 -4.226 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.768 2.816 -3.382 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.061 3.391 -2.348 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -6.894 0.672 -2.569 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.658 1.446 -1.195 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.895 -0.509 -2.643 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.792 0.755 -1.824 1.00 0.43 H new ATOM 85 N GLY A 6 -7.253 3.496 -5.713 1.00 0.37 N ATOM 86 CA GLY A 6 -6.499 3.642 -6.948 1.00 0.39 C ATOM 87 C GLY A 6 -5.048 3.218 -6.807 1.00 0.42 C ATOM 88 O GLY A 6 -4.550 3.046 -5.695 1.00 0.66 O ATOM 0 H GLY A 6 -7.140 4.265 -5.053 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -6.972 3.047 -7.729 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.539 4.682 -7.271 1.00 0.39 H new ATOM 92 N LYS A 7 -4.366 3.059 -7.941 1.00 0.41 N ATOM 93 CA LYS A 7 -2.958 2.664 -7.949 1.00 0.44 C ATOM 94 C LYS A 7 -2.160 3.542 -6.978 1.00 0.37 C ATOM 95 O LYS A 7 -2.168 4.766 -7.104 1.00 0.42 O ATOM 96 CB LYS A 7 -2.409 2.785 -9.381 1.00 0.54 C ATOM 97 CG LYS A 7 -0.892 2.873 -9.484 1.00 0.64 C ATOM 98 CD LYS A 7 -0.229 1.537 -9.197 1.00 1.01 C ATOM 99 CE LYS A 7 1.231 1.542 -9.623 1.00 0.95 C ATOM 100 NZ LYS A 7 1.380 1.684 -11.098 1.00 1.52 N ATOM 0 H LYS A 7 -4.767 3.198 -8.868 1.00 0.41 H new ATOM 0 HA LYS A 7 -2.862 1.629 -7.621 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -2.748 1.924 -9.958 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.842 3.671 -9.846 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.614 3.209 -10.483 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.523 3.620 -8.782 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.299 1.315 -8.132 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.761 0.744 -9.723 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.751 2.360 -9.125 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.707 0.617 -9.298 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.316 1.336 -11.387 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.641 1.130 -11.576 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.287 2.686 -11.361 1.00 1.52 H new ATOM 114 N PRO A 8 -1.466 2.945 -5.985 1.00 0.34 N ATOM 115 CA PRO A 8 -0.685 3.709 -5.008 1.00 0.32 C ATOM 116 C PRO A 8 0.643 4.193 -5.577 1.00 0.33 C ATOM 117 O PRO A 8 1.411 3.413 -6.142 1.00 0.44 O ATOM 118 CB PRO A 8 -0.454 2.707 -3.861 1.00 0.39 C ATOM 119 CG PRO A 8 -1.269 1.502 -4.213 1.00 0.44 C ATOM 120 CD PRO A 8 -1.370 1.505 -5.710 1.00 0.41 C ATOM 0 HA PRO A 8 -1.203 4.615 -4.695 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.602 2.453 -3.768 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.766 3.126 -2.905 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.794 0.589 -3.854 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.256 1.549 -3.754 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.498 1.053 -6.182 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.244 0.959 -6.065 1.00 0.41 H new ATOM 128 N VAL A 9 0.905 5.487 -5.428 1.00 0.34 N ATOM 129 CA VAL A 9 2.138 6.081 -5.931 1.00 0.38 C ATOM 130 C VAL A 9 2.950 6.709 -4.796 1.00 0.34 C ATOM 131 O VAL A 9 2.525 7.696 -4.195 1.00 0.35 O ATOM 132 CB VAL A 9 1.833 7.153 -6.999 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.140 8.358 -6.378 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.104 7.573 -7.721 1.00 0.53 C ATOM 0 H VAL A 9 0.280 6.145 -4.963 1.00 0.34 H new ATOM 0 HA VAL A 9 2.725 5.282 -6.383 1.00 0.38 H new ATOM 0 HB VAL A 9 1.155 6.715 -7.732 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.936 9.099 -7.151 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.202 8.043 -5.921 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.785 8.796 -5.617 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.865 8.329 -8.469 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.812 7.985 -7.002 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.548 6.706 -8.211 1.00 0.53 H new ATOM 144 N PRO A 10 4.130 6.145 -4.477 1.00 0.34 N ATOM 145 CA PRO A 10 4.976 6.665 -3.403 1.00 0.32 C ATOM 146 C PRO A 10 5.426 8.102 -3.635 1.00 0.37 C ATOM 147 O PRO A 10 6.030 8.418 -4.661 1.00 0.64 O ATOM 148 CB PRO A 10 6.187 5.736 -3.381 1.00 0.38 C ATOM 149 CG PRO A 10 5.773 4.518 -4.132 1.00 0.39 C ATOM 150 CD PRO A 10 4.726 4.960 -5.118 1.00 0.42 C ATOM 0 HA PRO A 10 4.426 6.688 -2.462 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.052 6.208 -3.847 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.472 5.488 -2.359 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.624 4.070 -4.645 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.374 3.762 -3.456 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.164 5.204 -6.086 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.983 4.181 -5.291 1.00 0.42 H new ATOM 158 N LEU A 11 5.141 8.962 -2.663 1.00 0.34 N ATOM 159 CA LEU A 11 5.527 10.365 -2.739 1.00 0.43 C ATOM 160 C LEU A 11 6.913 10.553 -2.133 1.00 0.43 C ATOM 161 O LEU A 11 7.665 11.445 -2.526 1.00 0.57 O ATOM 162 CB LEU A 11 4.510 11.238 -2.000 1.00 0.56 C ATOM 163 CG LEU A 11 3.044 10.920 -2.302 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.402 10.195 -1.128 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.278 12.194 -2.629 1.00 1.64 C ATOM 0 H LEU A 11 4.642 8.710 -1.810 1.00 0.34 H new ATOM 0 HA LEU A 11 5.550 10.667 -3.786 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.675 11.133 -0.928 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.699 12.282 -2.251 1.00 0.56 H new ATOM 0 HG LEU A 11 3.006 10.264 -3.172 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.360 9.977 -1.361 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.935 9.263 -0.941 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.451 10.825 -0.240 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.237 11.949 -2.841 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.324 12.875 -1.779 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.723 12.672 -3.502 1.00 1.64 H new ATOM 177 N ASN A 12 7.237 9.696 -1.170 1.00 0.34 N ATOM 178 CA ASN A 12 8.524 9.740 -0.491 1.00 0.36 C ATOM 179 C ASN A 12 8.899 8.356 0.015 1.00 0.37 C ATOM 180 O ASN A 12 8.283 7.843 0.944 1.00 0.58 O ATOM 181 CB ASN A 12 8.466 10.713 0.683 1.00 0.42 C ATOM 182 CG ASN A 12 9.826 11.277 1.039 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.044 12.487 0.983 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.753 10.399 1.410 1.00 0.71 N ATOM 0 H ASN A 12 6.617 8.956 -0.841 1.00 0.34 H new ATOM 0 HA ASN A 12 9.279 10.078 -1.201 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.790 11.532 0.438 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.049 10.204 1.552 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.688 10.720 1.662 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.529 9.404 1.443 1.00 0.71 H new ATOM 191 N ILE A 13 9.905 7.749 -0.592 1.00 0.38 N ATOM 192 CA ILE A 13 10.325 6.422 -0.172 1.00 0.43 C ATOM 193 C ILE A 13 11.732 6.423 0.413 1.00 0.53 C ATOM 194 O ILE A 13 12.665 6.983 -0.162 1.00 0.75 O ATOM 195 CB ILE A 13 10.232 5.397 -1.320 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.238 5.713 -2.434 1.00 0.49 C ATOM 197 CG2 ILE A 13 8.815 5.367 -1.867 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.846 6.885 -3.311 1.00 0.96 C ATOM 0 H ILE A 13 10.439 8.146 -1.365 1.00 0.38 H new ATOM 0 HA ILE A 13 9.631 6.122 0.613 1.00 0.43 H new ATOM 0 HB ILE A 13 10.483 4.413 -0.925 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.209 5.919 -1.984 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.359 4.829 -3.061 1.00 0.49 H new ATOM 0 HG21 ILE A 13 8.753 4.641 -2.678 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.124 5.083 -1.073 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.549 6.355 -2.243 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.610 7.041 -4.072 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.891 6.675 -3.793 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.754 7.783 -2.699 1.00 0.96 H new ATOM 210 N THR A 14 11.866 5.786 1.571 1.00 0.59 N ATOM 211 CA THR A 14 13.145 5.695 2.258 1.00 0.71 C ATOM 212 C THR A 14 13.554 4.236 2.413 1.00 0.79 C ATOM 213 O THR A 14 12.711 3.341 2.374 1.00 1.46 O ATOM 214 CB THR A 14 13.063 6.364 3.631 1.00 0.75 C ATOM 215 OG1 THR A 14 11.912 7.184 3.721 1.00 0.69 O ATOM 216 CG2 THR A 14 14.266 7.226 3.946 1.00 0.94 C ATOM 0 H THR A 14 11.097 5.322 2.055 1.00 0.59 H new ATOM 0 HA THR A 14 13.896 6.213 1.662 1.00 0.71 H new ATOM 0 HB THR A 14 13.022 5.546 4.351 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.176 6.673 4.118 1.00 0.69 H new ATOM 0 HG21 THR A 14 14.146 7.672 4.933 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.167 6.613 3.932 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.353 8.016 3.200 1.00 0.94 H new ATOM 224 N ARG A 15 14.848 4.004 2.585 1.00 0.66 N ATOM 225 CA ARG A 15 15.369 2.648 2.738 1.00 0.67 C ATOM 226 C ARG A 15 14.858 1.969 4.011 1.00 0.71 C ATOM 227 O ARG A 15 15.069 0.771 4.202 1.00 1.19 O ATOM 228 CB ARG A 15 16.901 2.654 2.730 1.00 0.80 C ATOM 229 CG ARG A 15 17.526 3.841 3.448 1.00 0.96 C ATOM 230 CD ARG A 15 16.888 4.080 4.807 1.00 1.13 C ATOM 231 NE ARG A 15 17.563 5.143 5.551 1.00 1.43 N ATOM 232 CZ ARG A 15 18.751 4.998 6.129 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.395 3.842 6.051 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.298 6.013 6.787 1.00 1.90 N ATOM 0 H ARG A 15 15.558 4.735 2.622 1.00 0.66 H new ATOM 0 HA ARG A 15 15.004 2.072 1.887 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.259 1.735 3.193 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.247 2.646 1.697 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.595 3.668 3.574 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.418 4.735 2.834 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.838 4.341 4.674 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.915 3.158 5.387 1.00 1.13 H new ATOM 0 HE ARG A 15 17.096 6.046 5.631 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.979 3.060 5.546 1.00 2.42 H new ATOM 0 HH12 ARG A 15 20.307 3.735 6.496 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.807 6.905 6.849 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.210 5.901 7.230 1.00 1.90 H new ATOM 248 N HIS A 16 14.189 2.723 4.882 1.00 0.50 N ATOM 249 CA HIS A 16 13.668 2.160 6.122 1.00 0.54 C ATOM 250 C HIS A 16 12.236 2.619 6.396 1.00 0.57 C ATOM 251 O HIS A 16 11.754 2.512 7.522 1.00 0.97 O ATOM 252 CB HIS A 16 14.568 2.551 7.293 1.00 0.67 C ATOM 253 CG HIS A 16 15.478 1.450 7.738 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.177 0.564 8.748 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.709 1.095 7.286 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.208 -0.280 8.878 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.165 -0.001 8.013 1.00 0.86 N ATOM 0 H HIS A 16 13.997 3.716 4.752 1.00 0.50 H new ATOM 0 HA HIS A 16 13.657 1.076 6.012 1.00 0.54 H new ATOM 0 HB2 HIS A 16 15.168 3.415 7.007 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.945 2.859 8.133 1.00 0.67 H new ATOM 0 HD2 HIS A 16 17.248 1.585 6.489 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.251 -1.085 9.597 1.00 1.02 H new ATOM 0 HE2 HIS A 16 18.054 -0.488 7.901 1.00 0.86 H new ATOM 265 N THR A 17 11.559 3.126 5.366 1.00 0.43 N ATOM 266 CA THR A 17 10.180 3.599 5.511 1.00 0.42 C ATOM 267 C THR A 17 9.726 4.319 4.245 1.00 0.38 C ATOM 268 O THR A 17 10.297 5.345 3.874 1.00 0.56 O ATOM 269 CB THR A 17 10.060 4.542 6.711 1.00 0.56 C ATOM 270 OG1 THR A 17 11.323 5.089 7.048 1.00 0.65 O ATOM 271 CG2 THR A 17 9.506 3.875 7.951 1.00 0.68 C ATOM 0 H THR A 17 11.940 3.220 4.425 1.00 0.43 H new ATOM 0 HA THR A 17 9.540 2.732 5.675 1.00 0.42 H new ATOM 0 HB THR A 17 9.362 5.317 6.395 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.225 5.690 7.816 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.449 4.602 8.761 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.509 3.487 7.741 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.160 3.054 8.246 1.00 0.68 H new ATOM 279 N VAL A 18 8.704 3.783 3.577 1.00 0.27 N ATOM 280 CA VAL A 18 8.212 4.402 2.351 1.00 0.33 C ATOM 281 C VAL A 18 6.897 5.155 2.586 1.00 0.32 C ATOM 282 O VAL A 18 6.245 4.969 3.606 1.00 0.51 O ATOM 283 CB VAL A 18 8.109 3.385 1.157 1.00 0.44 C ATOM 284 CG1 VAL A 18 8.927 2.146 1.407 1.00 0.46 C ATOM 285 CG2 VAL A 18 6.693 2.991 0.741 1.00 0.80 C ATOM 0 H VAL A 18 8.210 2.937 3.859 1.00 0.27 H new ATOM 0 HA VAL A 18 8.957 5.140 2.053 1.00 0.33 H new ATOM 0 HB VAL A 18 8.519 3.944 0.316 1.00 0.44 H new ATOM 0 HG11 VAL A 18 8.829 1.468 0.559 1.00 0.46 H new ATOM 0 HG12 VAL A 18 9.974 2.421 1.533 1.00 0.46 H new ATOM 0 HG13 VAL A 18 8.570 1.651 2.310 1.00 0.46 H new ATOM 0 HG21 VAL A 18 6.740 2.287 -0.090 1.00 0.80 H new ATOM 0 HG22 VAL A 18 6.183 2.524 1.584 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.144 3.880 0.432 1.00 0.80 H new ATOM 295 N THR A 19 6.520 6.005 1.631 1.00 0.27 N ATOM 296 CA THR A 19 5.287 6.786 1.740 1.00 0.24 C ATOM 297 C THR A 19 4.573 6.886 0.391 1.00 0.22 C ATOM 298 O THR A 19 5.157 7.355 -0.584 1.00 0.34 O ATOM 299 CB THR A 19 5.595 8.197 2.261 1.00 0.28 C ATOM 300 OG1 THR A 19 6.005 8.155 3.616 1.00 0.35 O ATOM 301 CG2 THR A 19 4.417 9.144 2.167 1.00 0.32 C ATOM 0 H THR A 19 7.049 6.170 0.775 1.00 0.27 H new ATOM 0 HA THR A 19 4.631 6.273 2.443 1.00 0.24 H new ATOM 0 HB THR A 19 6.392 8.571 1.619 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.198 9.064 3.928 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.705 10.122 2.552 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.110 9.240 1.126 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.587 8.752 2.756 1.00 0.32 H new ATOM 309 N LEU A 20 3.304 6.463 0.345 1.00 0.28 N ATOM 310 CA LEU A 20 2.528 6.531 -0.890 1.00 0.26 C ATOM 311 C LEU A 20 1.115 7.039 -0.648 1.00 0.28 C ATOM 312 O LEU A 20 0.591 6.990 0.469 1.00 0.40 O ATOM 313 CB LEU A 20 2.460 5.177 -1.622 1.00 0.33 C ATOM 314 CG LEU A 20 2.726 3.920 -0.790 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.144 3.922 -0.260 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.717 3.784 0.338 1.00 0.52 C ATOM 0 H LEU A 20 2.800 6.074 1.142 1.00 0.28 H new ATOM 0 HA LEU A 20 3.058 7.240 -1.526 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.470 5.084 -2.069 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.179 5.199 -2.441 1.00 0.33 H new ATOM 0 HG LEU A 20 2.609 3.053 -1.440 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.314 3.021 0.329 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.844 3.947 -1.095 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.296 4.800 0.368 1.00 0.50 H new ATOM 0 HD21 LEU A 20 1.932 2.882 0.911 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.783 4.654 0.992 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.712 3.719 -0.079 1.00 0.52 H new ATOM 328 N LYS A 21 0.514 7.522 -1.727 1.00 0.25 N ATOM 329 CA LYS A 21 -0.842 8.050 -1.703 1.00 0.31 C ATOM 330 C LYS A 21 -1.594 7.599 -2.950 1.00 0.31 C ATOM 331 O LYS A 21 -1.046 7.625 -4.053 1.00 0.51 O ATOM 332 CB LYS A 21 -0.815 9.579 -1.629 1.00 0.40 C ATOM 333 CG LYS A 21 -2.188 10.218 -1.746 1.00 0.81 C ATOM 334 CD LYS A 21 -3.117 9.732 -0.648 1.00 0.95 C ATOM 335 CE LYS A 21 -4.228 10.734 -0.371 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.888 11.193 -1.624 1.00 1.84 N ATOM 0 H LYS A 21 0.955 7.558 -2.646 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.354 7.668 -0.820 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.362 9.881 -0.684 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.176 9.962 -2.425 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.093 11.302 -1.691 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.619 9.984 -2.720 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.553 8.775 -0.936 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.545 9.560 0.264 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.971 10.280 0.285 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.818 11.594 0.159 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -5.785 11.665 -1.391 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.264 11.861 -2.120 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -5.076 10.374 -2.237 1.00 1.84 H new ATOM 350 N TRP A 22 -2.841 7.174 -2.777 1.00 0.25 N ATOM 351 CA TRP A 22 -3.639 6.710 -3.904 1.00 0.24 C ATOM 352 C TRP A 22 -4.948 7.481 -4.044 1.00 0.24 C ATOM 353 O TRP A 22 -5.227 8.409 -3.286 1.00 0.40 O ATOM 354 CB TRP A 22 -3.937 5.222 -3.756 1.00 0.27 C ATOM 355 CG TRP A 22 -4.501 4.836 -2.424 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.812 4.613 -2.126 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.771 4.617 -1.212 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.943 4.266 -0.804 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.706 4.264 -0.221 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.420 4.687 -0.866 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.332 3.978 1.090 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.051 4.404 0.435 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.003 4.053 1.399 1.00 0.32 C ATOM 0 H TRP A 22 -3.317 7.141 -1.875 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.053 6.886 -4.806 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.639 4.925 -4.535 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.018 4.661 -3.925 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.629 4.697 -2.827 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.821 4.045 -0.333 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.677 4.957 -1.602 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.065 3.707 1.835 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.009 4.455 0.713 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.681 3.837 2.407 1.00 0.32 H new ATOM 374 N ALA A 23 -5.743 7.074 -5.032 1.00 0.31 N ATOM 375 CA ALA A 23 -7.029 7.701 -5.303 1.00 0.33 C ATOM 376 C ALA A 23 -8.142 7.038 -4.498 1.00 0.36 C ATOM 377 O ALA A 23 -7.990 5.914 -4.022 1.00 0.83 O ATOM 378 CB ALA A 23 -7.340 7.625 -6.792 1.00 0.36 C ATOM 0 H ALA A 23 -5.513 6.305 -5.662 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.971 8.747 -5.002 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.303 8.096 -6.987 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.562 8.143 -7.353 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.377 6.581 -7.103 1.00 0.36 H new ATOM 384 N LYS A 24 -9.260 7.739 -4.352 1.00 0.59 N ATOM 385 CA LYS A 24 -10.398 7.213 -3.607 1.00 0.61 C ATOM 386 C LYS A 24 -11.339 6.442 -4.531 1.00 0.59 C ATOM 387 O LYS A 24 -11.642 6.895 -5.635 1.00 0.69 O ATOM 388 CB LYS A 24 -11.160 8.354 -2.926 1.00 0.74 C ATOM 389 CG LYS A 24 -11.998 7.910 -1.736 1.00 1.21 C ATOM 390 CD LYS A 24 -13.352 7.375 -2.172 1.00 1.22 C ATOM 391 CE LYS A 24 -14.275 8.495 -2.625 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.124 8.997 -1.509 1.00 2.11 N ATOM 0 H LYS A 24 -9.403 8.672 -4.739 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.020 6.531 -2.845 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.446 9.108 -2.594 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.811 8.832 -3.658 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.463 7.139 -1.181 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.140 8.751 -1.057 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.218 6.662 -2.985 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.813 6.834 -1.346 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -13.681 9.316 -3.027 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.912 8.137 -3.434 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.739 9.760 -1.857 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.710 8.220 -1.142 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -14.517 9.362 -0.748 1.00 2.11 H new ATOM 406 N PRO A 25 -11.818 5.264 -4.095 1.00 0.56 N ATOM 407 CA PRO A 25 -12.731 4.441 -4.895 1.00 0.63 C ATOM 408 C PRO A 25 -13.986 5.210 -5.303 1.00 0.75 C ATOM 409 O PRO A 25 -14.214 6.330 -4.850 1.00 0.89 O ATOM 410 CB PRO A 25 -13.088 3.270 -3.968 1.00 0.63 C ATOM 411 CG PRO A 25 -12.654 3.689 -2.602 1.00 0.71 C ATOM 412 CD PRO A 25 -11.514 4.645 -2.796 1.00 0.58 C ATOM 0 HA PRO A 25 -12.273 4.121 -5.831 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.158 3.063 -3.993 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -12.580 2.357 -4.277 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.473 4.165 -2.063 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.342 2.827 -2.012 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.468 5.385 -1.997 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.553 4.130 -2.809 1.00 0.58 H new ATOM 420 N GLU A 26 -14.796 4.612 -6.168 1.00 0.85 N ATOM 421 CA GLU A 26 -16.018 5.262 -6.629 1.00 1.05 C ATOM 422 C GLU A 26 -17.220 4.341 -6.483 1.00 0.95 C ATOM 423 O GLU A 26 -18.243 4.729 -5.920 1.00 1.12 O ATOM 424 CB GLU A 26 -15.891 5.710 -8.093 1.00 1.29 C ATOM 425 CG GLU A 26 -14.467 5.714 -8.634 1.00 1.83 C ATOM 426 CD GLU A 26 -14.237 6.794 -9.673 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.219 7.985 -9.299 1.00 2.53 O ATOM 428 OE2 GLU A 26 -14.075 6.447 -10.862 1.00 2.77 O ATOM 0 H GLU A 26 -14.632 3.686 -6.562 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.169 6.141 -6.003 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.500 5.053 -8.714 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.305 6.714 -8.189 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.770 5.856 -7.808 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.247 4.741 -9.073 1.00 1.83 H new ATOM 435 N TYR A 27 -17.097 3.121 -6.994 1.00 0.85 N ATOM 436 CA TYR A 27 -18.188 2.164 -6.914 1.00 0.84 C ATOM 437 C TYR A 27 -17.994 1.182 -5.766 1.00 0.86 C ATOM 438 O TYR A 27 -17.723 0.001 -5.985 1.00 1.37 O ATOM 439 CB TYR A 27 -18.330 1.392 -8.224 1.00 0.86 C ATOM 440 CG TYR A 27 -19.749 0.946 -8.496 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.413 0.118 -7.601 1.00 0.93 C ATOM 442 CD2 TYR A 27 -20.425 1.353 -9.638 1.00 1.15 C ATOM 443 CE1 TYR A 27 -21.710 -0.294 -7.833 1.00 1.04 C ATOM 444 CE2 TYR A 27 -21.724 0.945 -9.879 1.00 1.28 C ATOM 445 CZ TYR A 27 -22.362 0.122 -8.974 1.00 1.19 C ATOM 446 OH TYR A 27 -23.655 -0.287 -9.211 1.00 1.35 O ATOM 0 H TYR A 27 -16.260 2.776 -7.463 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.098 2.734 -6.729 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -17.988 2.019 -9.048 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -17.679 0.518 -8.197 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -19.905 -0.210 -6.706 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -19.929 1.998 -10.349 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -22.211 -0.938 -7.125 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -22.237 1.269 -10.772 1.00 1.28 H new ATOM 0 HH TYR A 27 -23.969 0.095 -10.057 1.00 1.35 H new ATOM 456 N THR A 28 -18.146 1.670 -4.542 1.00 0.65 N ATOM 457 CA THR A 28 -18.000 0.825 -3.365 1.00 0.61 C ATOM 458 C THR A 28 -19.360 0.295 -2.928 1.00 0.66 C ATOM 459 O THR A 28 -19.722 0.372 -1.755 1.00 0.81 O ATOM 460 CB THR A 28 -17.348 1.603 -2.223 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.184 2.664 -1.798 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.006 2.197 -2.593 1.00 0.79 C ATOM 0 H THR A 28 -18.370 2.644 -4.339 1.00 0.65 H new ATOM 0 HA THR A 28 -17.357 -0.017 -3.622 1.00 0.61 H new ATOM 0 HB THR A 28 -17.198 0.874 -1.426 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.376 2.566 -0.842 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.598 2.736 -1.738 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.321 1.399 -2.879 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.131 2.885 -3.429 1.00 0.79 H new ATOM 470 N GLY A 29 -20.113 -0.239 -3.887 1.00 0.75 N ATOM 471 CA GLY A 29 -21.432 -0.774 -3.596 1.00 0.80 C ATOM 472 C GLY A 29 -22.263 0.170 -2.746 1.00 0.85 C ATOM 473 O GLY A 29 -22.911 1.079 -3.265 1.00 1.01 O ATOM 0 H GLY A 29 -19.831 -0.311 -4.865 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.955 -0.973 -4.531 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.329 -1.728 -3.080 1.00 0.80 H new ATOM 477 N GLY A 30 -22.234 -0.047 -1.438 1.00 0.83 N ATOM 478 CA GLY A 30 -22.979 0.793 -0.519 1.00 0.89 C ATOM 479 C GLY A 30 -22.201 1.020 0.757 1.00 0.85 C ATOM 480 O GLY A 30 -22.771 1.110 1.844 1.00 0.98 O ATOM 0 H GLY A 30 -21.703 -0.796 -0.993 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.198 1.751 -0.991 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.936 0.326 -0.288 1.00 0.89 H new ATOM 484 N PHE A 31 -20.883 1.090 0.612 1.00 0.73 N ATOM 485 CA PHE A 31 -19.983 1.283 1.743 1.00 0.69 C ATOM 486 C PHE A 31 -19.188 2.578 1.604 1.00 0.67 C ATOM 487 O PHE A 31 -19.280 3.271 0.591 1.00 0.74 O ATOM 488 CB PHE A 31 -19.008 0.107 1.837 1.00 0.63 C ATOM 489 CG PHE A 31 -19.517 -1.174 1.228 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.415 -1.980 1.916 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.095 -1.571 -0.030 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.878 -3.155 1.357 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.555 -2.746 -0.592 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.464 -3.534 0.105 1.00 0.83 C ATOM 0 H PHE A 31 -20.410 1.015 -0.288 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.590 1.341 2.647 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.076 0.384 1.345 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.774 -0.072 2.886 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.755 -1.685 2.898 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.398 -0.955 -0.578 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.568 -3.777 1.907 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.210 -3.051 -1.569 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.844 -4.443 -0.338 1.00 0.83 H new ATOM 504 N LYS A 32 -18.399 2.893 2.629 1.00 0.68 N ATOM 505 CA LYS A 32 -17.575 4.097 2.621 1.00 0.72 C ATOM 506 C LYS A 32 -16.137 3.800 3.085 1.00 0.66 C ATOM 507 O LYS A 32 -15.317 4.710 3.203 1.00 0.74 O ATOM 508 CB LYS A 32 -18.240 5.202 3.472 1.00 0.86 C ATOM 509 CG LYS A 32 -17.670 5.406 4.874 1.00 1.38 C ATOM 510 CD LYS A 32 -16.774 6.633 4.934 1.00 1.38 C ATOM 511 CE LYS A 32 -16.154 6.808 6.310 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.732 8.215 6.555 1.00 2.26 N ATOM 0 H LYS A 32 -18.314 2.330 3.475 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.502 4.459 1.596 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.164 6.145 2.930 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -19.302 4.972 3.564 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.486 5.514 5.588 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.102 4.524 5.170 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.985 6.544 4.188 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.354 7.520 4.681 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.872 6.507 7.073 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.291 6.149 6.406 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.314 8.292 7.504 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.028 8.495 5.843 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.559 8.842 6.489 1.00 2.26 H new ATOM 526 N ILE A 33 -15.839 2.523 3.338 1.00 0.67 N ATOM 527 CA ILE A 33 -14.514 2.109 3.775 1.00 0.66 C ATOM 528 C ILE A 33 -14.114 2.777 5.085 1.00 0.80 C ATOM 529 O ILE A 33 -14.458 3.932 5.338 1.00 1.71 O ATOM 530 CB ILE A 33 -13.443 2.415 2.716 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.029 2.295 1.300 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.248 1.489 2.901 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.991 2.191 0.203 1.00 0.91 C ATOM 0 H ILE A 33 -16.506 1.757 3.245 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.571 1.031 3.927 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.102 3.442 2.844 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.673 1.417 1.259 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.660 3.162 1.106 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.494 1.713 2.146 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.823 1.637 3.894 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.571 0.453 2.795 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.489 2.110 -0.763 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.361 3.080 0.213 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.374 1.308 0.368 1.00 0.91 H new ATOM 545 N THR A 34 -13.384 2.038 5.916 1.00 0.72 N ATOM 546 CA THR A 34 -12.938 2.557 7.205 1.00 0.73 C ATOM 547 C THR A 34 -11.433 2.356 7.423 1.00 0.59 C ATOM 548 O THR A 34 -10.885 2.822 8.422 1.00 0.76 O ATOM 549 CB THR A 34 -13.716 1.886 8.338 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.266 0.557 8.534 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.210 1.835 8.093 1.00 1.15 C ATOM 0 H THR A 34 -13.090 1.081 5.721 1.00 0.72 H new ATOM 0 HA THR A 34 -13.131 3.630 7.205 1.00 0.73 H new ATOM 0 HB THR A 34 -13.532 2.501 9.219 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.774 0.144 9.264 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.700 1.347 8.935 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.596 2.849 7.986 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.410 1.273 7.181 1.00 1.15 H new ATOM 559 N SER A 35 -10.763 1.665 6.498 1.00 0.49 N ATOM 560 CA SER A 35 -9.325 1.424 6.630 1.00 0.47 C ATOM 561 C SER A 35 -8.719 0.874 5.342 1.00 0.45 C ATOM 562 O SER A 35 -9.346 0.081 4.641 1.00 0.72 O ATOM 563 CB SER A 35 -9.056 0.434 7.764 1.00 0.64 C ATOM 564 OG SER A 35 -10.119 0.420 8.701 1.00 1.58 O ATOM 0 H SER A 35 -11.187 1.267 5.660 1.00 0.49 H new ATOM 0 HA SER A 35 -8.859 2.385 6.849 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.919 -0.566 7.352 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.127 0.700 8.269 1.00 0.64 H new ATOM 0 HG SER A 35 -10.292 1.333 9.014 1.00 1.58 H new ATOM 570 N TYR A 36 -7.486 1.290 5.050 1.00 0.27 N ATOM 571 CA TYR A 36 -6.778 0.833 3.859 1.00 0.28 C ATOM 572 C TYR A 36 -5.531 0.042 4.255 1.00 0.33 C ATOM 573 O TYR A 36 -4.588 0.596 4.813 1.00 0.68 O ATOM 574 CB TYR A 36 -6.378 2.017 2.979 1.00 0.29 C ATOM 575 CG TYR A 36 -7.533 2.910 2.588 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.639 2.393 1.926 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.517 4.267 2.882 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.698 3.204 1.568 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.574 5.085 2.527 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.654 4.557 1.871 1.00 0.60 C ATOM 581 OH TYR A 36 -10.714 5.359 1.514 1.00 0.76 O ATOM 0 H TYR A 36 -6.957 1.945 5.626 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.449 0.187 3.293 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.633 2.613 3.506 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.901 1.639 2.074 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.671 1.340 1.687 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.666 4.690 3.396 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.553 2.788 1.056 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.548 6.138 2.767 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.536 6.281 1.795 1.00 0.76 H new ATOM 591 N ILE A 37 -5.526 -1.253 3.967 1.00 0.24 N ATOM 592 CA ILE A 37 -4.384 -2.094 4.307 1.00 0.26 C ATOM 593 C ILE A 37 -3.395 -2.167 3.148 1.00 0.33 C ATOM 594 O ILE A 37 -3.738 -2.613 2.055 1.00 0.70 O ATOM 595 CB ILE A 37 -4.811 -3.522 4.701 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.164 -3.517 5.421 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.749 -4.145 5.589 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.774 -4.893 5.564 1.00 1.14 C ATOM 0 H ILE A 37 -6.292 -1.741 3.503 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.903 -1.630 5.168 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.918 -4.113 3.791 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.039 -3.079 6.411 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.856 -2.876 4.874 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.053 -5.154 5.866 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.802 -4.186 5.050 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.628 -3.542 6.489 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.730 -4.815 6.082 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.931 -5.326 4.576 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.101 -5.531 6.137 1.00 1.14 H new ATOM 610 N VAL A 38 -2.165 -1.720 3.389 1.00 0.36 N ATOM 611 CA VAL A 38 -1.134 -1.727 2.356 1.00 0.42 C ATOM 612 C VAL A 38 -0.249 -2.965 2.426 1.00 0.35 C ATOM 613 O VAL A 38 0.753 -2.984 3.140 1.00 0.48 O ATOM 614 CB VAL A 38 -0.230 -0.484 2.449 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.553 -0.292 1.155 1.00 0.51 C ATOM 616 CG2 VAL A 38 -1.047 0.753 2.782 1.00 0.46 C ATOM 0 H VAL A 38 -1.859 -1.349 4.289 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.672 -1.726 1.408 1.00 0.42 H new ATOM 0 HB VAL A 38 0.485 -0.639 3.257 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.186 0.591 1.240 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.175 -1.168 0.973 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.142 -0.162 0.325 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.388 1.619 2.843 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.792 0.918 2.003 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.548 0.611 3.739 1.00 0.46 H new ATOM 626 N GLU A 39 -0.611 -3.989 1.660 1.00 0.30 N ATOM 627 CA GLU A 39 0.169 -5.217 1.617 1.00 0.33 C ATOM 628 C GLU A 39 1.457 -4.964 0.844 1.00 0.32 C ATOM 629 O GLU A 39 1.474 -4.166 -0.093 1.00 0.43 O ATOM 630 CB GLU A 39 -0.637 -6.339 0.963 1.00 0.42 C ATOM 631 CG GLU A 39 -1.729 -6.904 1.860 1.00 0.51 C ATOM 632 CD GLU A 39 -1.341 -8.226 2.494 1.00 0.92 C ATOM 633 OE1 GLU A 39 -0.145 -8.406 2.809 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.234 -9.081 2.678 1.00 1.52 O ATOM 0 H GLU A 39 -1.438 -3.991 1.063 1.00 0.30 H new ATOM 0 HA GLU A 39 0.413 -5.526 2.633 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -1.090 -5.963 0.045 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.041 -7.144 0.678 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.958 -6.183 2.645 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.639 -7.039 1.276 1.00 0.51 H new ATOM 641 N LYS A 40 2.537 -5.627 1.236 1.00 0.28 N ATOM 642 CA LYS A 40 3.814 -5.435 0.560 1.00 0.31 C ATOM 643 C LYS A 40 4.403 -6.747 0.072 1.00 0.29 C ATOM 644 O LYS A 40 4.323 -7.773 0.748 1.00 0.35 O ATOM 645 CB LYS A 40 4.814 -4.743 1.487 1.00 0.43 C ATOM 646 CG LYS A 40 4.692 -5.166 2.939 1.00 0.92 C ATOM 647 CD LYS A 40 6.047 -5.186 3.625 1.00 1.14 C ATOM 648 CE LYS A 40 6.158 -6.346 4.601 1.00 1.65 C ATOM 649 NZ LYS A 40 7.490 -7.009 4.531 1.00 1.97 N ATOM 0 H LYS A 40 2.556 -6.294 2.008 1.00 0.28 H new ATOM 0 HA LYS A 40 3.622 -4.805 -0.308 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.825 -4.955 1.140 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.673 -3.664 1.419 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.026 -4.481 3.465 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.239 -6.156 2.995 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.835 -5.263 2.876 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.202 -4.246 4.155 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.986 -5.984 5.615 1.00 1.65 H new ATOM 0 HE3 LYS A 40 5.378 -7.076 4.386 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.723 -7.419 5.458 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.465 -7.763 3.815 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.213 -6.308 4.271 1.00 1.97 H new ATOM 663 N ARG A 41 5.008 -6.695 -1.106 1.00 0.36 N ATOM 664 CA ARG A 41 5.635 -7.859 -1.700 1.00 0.40 C ATOM 665 C ARG A 41 7.147 -7.744 -1.567 1.00 0.41 C ATOM 666 O ARG A 41 7.784 -6.939 -2.257 1.00 0.43 O ATOM 667 CB ARG A 41 5.234 -7.991 -3.170 1.00 0.46 C ATOM 668 CG ARG A 41 5.681 -9.291 -3.819 1.00 0.58 C ATOM 669 CD ARG A 41 5.447 -9.269 -5.322 1.00 0.88 C ATOM 670 NE ARG A 41 4.436 -10.240 -5.737 1.00 0.95 N ATOM 671 CZ ARG A 41 3.744 -10.147 -6.870 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.953 -9.133 -7.697 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.844 -11.070 -7.181 1.00 1.44 N ATOM 0 H ARG A 41 5.076 -5.849 -1.671 1.00 0.36 H new ATOM 0 HA ARG A 41 5.298 -8.754 -1.176 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.150 -7.912 -3.249 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.656 -7.155 -3.727 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.739 -9.456 -3.616 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.138 -10.126 -3.377 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.135 -8.270 -5.625 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.384 -9.480 -5.837 1.00 0.88 H new ATOM 0 HE ARG A 41 4.251 -11.034 -5.124 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.646 -8.421 -7.466 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.421 -9.065 -8.565 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.680 -11.855 -6.551 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.316 -10.995 -8.050 1.00 1.44 H new ATOM 687 N ASP A 42 7.704 -8.544 -0.663 1.00 0.50 N ATOM 688 CA ASP A 42 9.138 -8.543 -0.408 1.00 0.57 C ATOM 689 C ASP A 42 9.899 -9.177 -1.562 1.00 0.62 C ATOM 690 O ASP A 42 10.106 -10.389 -1.593 1.00 0.91 O ATOM 691 CB ASP A 42 9.443 -9.293 0.890 1.00 0.71 C ATOM 692 CG ASP A 42 8.187 -9.777 1.590 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.574 -10.750 1.104 1.00 1.59 O ATOM 694 OD2 ASP A 42 7.818 -9.182 2.625 1.00 1.49 O ATOM 0 H ASP A 42 7.178 -9.205 -0.092 1.00 0.50 H new ATOM 0 HA ASP A 42 9.463 -7.507 -0.311 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.085 -10.146 0.671 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.000 -8.639 1.561 1.00 0.71 H new ATOM 699 N LEU A 43 10.316 -8.352 -2.507 1.00 0.63 N ATOM 700 CA LEU A 43 11.059 -8.836 -3.659 1.00 0.68 C ATOM 701 C LEU A 43 12.500 -9.149 -3.267 1.00 0.81 C ATOM 702 O LEU A 43 13.073 -8.480 -2.407 1.00 0.90 O ATOM 703 CB LEU A 43 11.026 -7.803 -4.783 1.00 0.62 C ATOM 704 CG LEU A 43 9.666 -7.137 -4.996 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.743 -6.112 -6.114 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.603 -8.181 -5.297 1.00 0.70 C ATOM 0 H LEU A 43 10.153 -7.345 -2.500 1.00 0.63 H new ATOM 0 HA LEU A 43 10.590 -9.753 -4.016 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.765 -7.030 -4.570 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.329 -8.286 -5.712 1.00 0.62 H new ATOM 0 HG LEU A 43 9.388 -6.620 -4.078 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.766 -5.649 -6.251 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.475 -5.346 -5.856 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.044 -6.604 -7.039 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.642 -7.689 -5.446 1.00 0.70 H new ATOM 0 HD22 LEU A 43 8.875 -8.727 -6.200 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.529 -8.877 -4.461 1.00 0.70 H new ATOM 718 N PRO A 44 13.112 -10.178 -3.884 1.00 0.92 N ATOM 719 CA PRO A 44 12.479 -11.003 -4.910 1.00 0.99 C ATOM 720 C PRO A 44 11.746 -12.213 -4.331 1.00 1.15 C ATOM 721 O PRO A 44 11.608 -13.238 -4.996 1.00 1.43 O ATOM 722 CB PRO A 44 13.673 -11.449 -5.747 1.00 1.15 C ATOM 723 CG PRO A 44 14.806 -11.546 -4.774 1.00 1.25 C ATOM 724 CD PRO A 44 14.494 -10.611 -3.627 1.00 1.08 C ATOM 0 HA PRO A 44 11.712 -10.462 -5.464 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.482 -12.408 -6.229 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.891 -10.732 -6.538 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.919 -12.569 -4.416 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.747 -11.270 -5.250 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.581 -11.117 -2.665 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.180 -9.764 -3.605 1.00 1.08 H new ATOM 732 N ASN A 45 11.277 -12.091 -3.092 1.00 1.14 N ATOM 733 CA ASN A 45 10.561 -13.184 -2.439 1.00 1.33 C ATOM 734 C ASN A 45 9.064 -13.116 -2.733 1.00 1.43 C ATOM 735 O ASN A 45 8.540 -13.907 -3.516 1.00 2.42 O ATOM 736 CB ASN A 45 10.800 -13.161 -0.926 1.00 1.66 C ATOM 737 CG ASN A 45 12.273 -13.245 -0.570 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.845 -14.332 -0.502 1.00 2.66 O ATOM 739 ND2 ASN A 45 12.894 -12.094 -0.343 1.00 1.89 N ATOM 0 H ASN A 45 11.379 -11.251 -2.522 1.00 1.14 H new ATOM 0 HA ASN A 45 10.948 -14.120 -2.842 1.00 1.33 H new ATOM 0 HB2 ASN A 45 10.380 -12.246 -0.509 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.270 -13.994 -0.465 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.885 -12.088 -0.101 1.00 1.89 H new ATOM 0 HD22 ASN A 45 12.380 -11.215 -0.411 1.00 1.89 H new ATOM 746 N GLY A 46 8.379 -12.165 -2.101 1.00 0.90 N ATOM 747 CA GLY A 46 6.951 -12.016 -2.315 1.00 1.12 C ATOM 748 C GLY A 46 6.123 -12.632 -1.203 1.00 0.76 C ATOM 749 O GLY A 46 6.558 -13.578 -0.546 1.00 0.96 O ATOM 0 H GLY A 46 8.787 -11.497 -1.447 1.00 0.90 H new ATOM 0 HA2 GLY A 46 6.709 -10.956 -2.398 1.00 1.12 H new ATOM 0 HA3 GLY A 46 6.680 -12.480 -3.263 1.00 1.12 H new ATOM 753 N ARG A 47 4.923 -12.095 -0.995 1.00 0.80 N ATOM 754 CA ARG A 47 4.027 -12.596 0.045 1.00 0.76 C ATOM 755 C ARG A 47 2.820 -11.675 0.225 1.00 0.85 C ATOM 756 O ARG A 47 1.729 -12.128 0.573 1.00 1.71 O ATOM 757 CB ARG A 47 4.773 -12.743 1.373 1.00 0.99 C ATOM 758 CG ARG A 47 5.813 -11.660 1.617 1.00 1.31 C ATOM 759 CD ARG A 47 5.774 -11.173 3.056 1.00 1.11 C ATOM 760 NE ARG A 47 7.064 -11.317 3.723 1.00 1.41 N ATOM 761 CZ ARG A 47 7.208 -11.331 5.044 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.144 -11.212 5.829 1.00 2.41 N ATOM 763 NH2 ARG A 47 8.413 -11.464 5.582 1.00 2.03 N ATOM 0 H ARG A 47 4.548 -11.313 -1.533 1.00 0.80 H new ATOM 0 HA ARG A 47 3.668 -13.576 -0.271 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.050 -12.729 2.188 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.263 -13.716 1.398 1.00 0.99 H new ATOM 0 HG2 ARG A 47 6.806 -12.048 1.389 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.635 -10.823 0.942 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.472 -10.126 3.075 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.018 -11.733 3.607 1.00 1.11 H new ATOM 0 HE ARG A 47 7.899 -11.412 3.145 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.216 -11.110 5.418 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.255 -11.223 6.843 1.00 2.41 H new ATOM 0 HH21 ARG A 47 9.232 -11.556 4.981 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.520 -11.474 6.596 1.00 2.03 H new ATOM 777 N TRP A 48 3.021 -10.384 -0.015 1.00 0.50 N ATOM 778 CA TRP A 48 1.954 -9.401 0.119 1.00 0.43 C ATOM 779 C TRP A 48 1.381 -9.393 1.529 1.00 0.45 C ATOM 780 O TRP A 48 0.283 -9.899 1.766 1.00 0.65 O ATOM 781 CB TRP A 48 0.841 -9.683 -0.881 1.00 0.47 C ATOM 782 CG TRP A 48 1.268 -9.518 -2.303 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.246 -10.473 -3.277 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.787 -8.332 -2.917 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.715 -9.951 -4.454 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.054 -8.645 -4.260 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.054 -7.033 -2.468 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.569 -7.717 -5.153 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.568 -6.114 -3.361 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.820 -6.463 -4.688 1.00 0.38 C ATOM 0 H TRP A 48 3.918 -9.993 -0.305 1.00 0.50 H new ATOM 0 HA TRP A 48 2.384 -8.421 -0.085 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.479 -10.700 -0.733 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.004 -9.014 -0.680 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.909 -11.490 -3.141 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.797 -10.459 -5.335 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.861 -6.755 -1.442 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.764 -7.981 -6.182 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.778 -5.109 -3.027 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.223 -5.721 -5.361 1.00 0.38 H new ATOM 801 N LEU A 49 2.125 -8.812 2.460 1.00 0.38 N ATOM 802 CA LEU A 49 1.686 -8.732 3.844 1.00 0.42 C ATOM 803 C LEU A 49 1.518 -7.277 4.263 1.00 0.36 C ATOM 804 O LEU A 49 2.398 -6.449 4.037 1.00 0.39 O ATOM 805 CB LEU A 49 2.678 -9.443 4.764 1.00 0.52 C ATOM 806 CG LEU A 49 2.182 -10.772 5.337 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.011 -10.543 6.279 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.788 -11.722 4.214 1.00 0.84 C ATOM 0 H LEU A 49 3.036 -8.389 2.281 1.00 0.38 H new ATOM 0 HA LEU A 49 0.721 -9.231 3.930 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.600 -9.623 4.211 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.927 -8.777 5.590 1.00 0.52 H new ATOM 0 HG LEU A 49 2.994 -11.227 5.904 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.672 -11.499 6.677 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.325 -9.899 7.101 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.195 -10.066 5.736 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.438 -12.662 4.639 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.992 -11.273 3.620 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.652 -11.911 3.578 1.00 0.84 H new ATOM 820 N LYS A 50 0.378 -6.971 4.864 1.00 0.40 N ATOM 821 CA LYS A 50 0.085 -5.613 5.304 1.00 0.40 C ATOM 822 C LYS A 50 1.196 -5.046 6.176 1.00 0.47 C ATOM 823 O LYS A 50 1.239 -5.291 7.382 1.00 0.85 O ATOM 824 CB LYS A 50 -1.238 -5.580 6.064 1.00 0.59 C ATOM 825 CG LYS A 50 -1.293 -6.540 7.241 1.00 0.72 C ATOM 826 CD LYS A 50 -2.702 -6.650 7.796 1.00 1.03 C ATOM 827 CE LYS A 50 -3.151 -5.343 8.427 1.00 0.86 C ATOM 828 NZ LYS A 50 -2.838 -5.294 9.881 1.00 1.30 N ATOM 0 H LYS A 50 -0.362 -7.646 5.059 1.00 0.40 H new ATOM 0 HA LYS A 50 0.011 -4.990 4.413 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.414 -4.567 6.425 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.048 -5.818 5.375 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.945 -7.524 6.927 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.617 -6.198 8.024 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.390 -6.925 6.996 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.741 -7.447 8.538 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.663 -4.509 7.922 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.224 -5.219 8.282 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -2.571 -4.324 10.146 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -3.675 -5.584 10.426 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.049 -5.939 10.088 1.00 1.30 H new ATOM 842 N ALA A 51 2.085 -4.268 5.569 1.00 0.45 N ATOM 843 CA ALA A 51 3.176 -3.654 6.311 1.00 0.63 C ATOM 844 C ALA A 51 2.601 -2.780 7.413 1.00 0.55 C ATOM 845 O ALA A 51 3.097 -2.761 8.539 1.00 0.72 O ATOM 846 CB ALA A 51 4.058 -2.829 5.388 1.00 0.86 C ATOM 0 H ALA A 51 2.071 -4.050 4.573 1.00 0.45 H new ATOM 0 HA ALA A 51 3.793 -4.437 6.752 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.867 -2.379 5.964 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.477 -3.472 4.614 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.463 -2.043 4.923 1.00 0.86 H new ATOM 852 N ASN A 52 1.538 -2.064 7.066 1.00 0.42 N ATOM 853 CA ASN A 52 0.863 -1.183 8.009 1.00 0.43 C ATOM 854 C ASN A 52 0.376 -1.973 9.220 1.00 0.59 C ATOM 855 O ASN A 52 0.307 -3.203 9.187 1.00 1.60 O ATOM 856 CB ASN A 52 -0.318 -0.482 7.320 1.00 0.38 C ATOM 857 CG ASN A 52 -1.230 0.239 8.297 1.00 0.96 C ATOM 858 OD1 ASN A 52 -0.900 1.313 8.799 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.386 -0.355 8.572 1.00 0.62 N ATOM 0 H ASN A 52 1.124 -2.077 6.134 1.00 0.42 H new ATOM 0 HA ASN A 52 1.570 -0.428 8.351 1.00 0.43 H new ATOM 0 HB2 ASN A 52 0.065 0.234 6.593 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.898 -1.220 6.766 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.041 0.080 9.222 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.619 -1.246 8.133 1.00 0.62 H new ATOM 866 N PHE A 53 0.038 -1.260 10.286 1.00 0.81 N ATOM 867 CA PHE A 53 -0.444 -1.894 11.506 1.00 0.82 C ATOM 868 C PHE A 53 -0.982 -0.852 12.482 1.00 0.84 C ATOM 869 O PHE A 53 -0.893 -1.022 13.697 1.00 1.20 O ATOM 870 CB PHE A 53 0.680 -2.695 12.167 1.00 0.96 C ATOM 871 CG PHE A 53 0.426 -4.176 12.210 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.850 -4.664 12.446 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.458 -5.079 12.012 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.090 -6.024 12.485 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.224 -6.441 12.051 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.038 -6.916 12.292 1.00 1.96 C ATOM 0 H PHE A 53 0.089 -0.242 10.331 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.255 -2.571 11.239 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.610 -2.511 11.629 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.823 -2.331 13.184 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.666 -3.973 12.601 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.457 -4.715 11.825 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.089 -6.394 12.664 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.038 -7.132 11.891 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.217 -7.980 12.332 1.00 1.96 H new ATOM 886 N SER A 54 -1.540 0.227 11.941 1.00 0.79 N ATOM 887 CA SER A 54 -2.090 1.295 12.768 1.00 0.89 C ATOM 888 C SER A 54 -3.216 2.021 12.041 1.00 0.95 C ATOM 889 O SER A 54 -3.360 3.237 12.154 1.00 1.89 O ATOM 890 CB SER A 54 -0.990 2.287 13.152 1.00 1.00 C ATOM 891 OG SER A 54 -1.240 2.857 14.425 1.00 1.71 O ATOM 0 H SER A 54 -1.623 0.384 10.937 1.00 0.79 H new ATOM 0 HA SER A 54 -2.498 0.847 13.674 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.025 1.780 13.160 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.929 3.076 12.402 1.00 1.00 H new ATOM 0 HG SER A 54 -0.523 3.486 14.648 1.00 1.71 H new ATOM 897 N ASN A 55 -4.011 1.265 11.292 1.00 0.75 N ATOM 898 CA ASN A 55 -5.127 1.834 10.545 1.00 0.69 C ATOM 899 C ASN A 55 -4.629 2.848 9.516 1.00 0.66 C ATOM 900 O ASN A 55 -3.576 3.460 9.688 1.00 1.05 O ATOM 901 CB ASN A 55 -6.123 2.494 11.509 1.00 0.84 C ATOM 902 CG ASN A 55 -7.184 3.317 10.796 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.244 4.537 10.948 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.028 2.653 10.015 1.00 0.83 N ATOM 0 H ASN A 55 -3.903 0.256 11.186 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.633 1.030 10.011 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.610 1.722 12.105 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.579 3.135 12.202 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.761 3.155 9.513 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.943 1.641 9.917 1.00 0.83 H new ATOM 911 N ILE A 56 -5.399 3.013 8.447 1.00 0.40 N ATOM 912 CA ILE A 56 -5.052 3.946 7.381 1.00 0.33 C ATOM 913 C ILE A 56 -6.313 4.544 6.765 1.00 0.31 C ATOM 914 O ILE A 56 -6.582 4.371 5.577 1.00 0.53 O ATOM 915 CB ILE A 56 -4.221 3.249 6.283 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.921 2.690 6.871 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.929 4.207 5.136 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.004 2.057 5.844 1.00 0.69 C ATOM 0 H ILE A 56 -6.273 2.510 8.295 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.452 4.744 7.819 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.804 2.418 5.886 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.386 3.495 7.374 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.167 1.948 7.630 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.342 3.694 4.374 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.868 4.551 4.701 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.368 5.063 5.511 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.106 1.685 6.338 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.519 1.229 5.357 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.726 2.801 5.097 1.00 0.69 H new ATOM 930 N LEU A 57 -7.087 5.241 7.592 1.00 0.44 N ATOM 931 CA LEU A 57 -8.330 5.864 7.150 1.00 0.45 C ATOM 932 C LEU A 57 -8.153 6.611 5.831 1.00 0.42 C ATOM 933 O LEU A 57 -8.926 6.420 4.893 1.00 0.60 O ATOM 934 CB LEU A 57 -8.848 6.826 8.225 1.00 0.48 C ATOM 935 CG LEU A 57 -10.325 7.215 8.099 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.510 8.294 7.042 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.174 5.995 7.775 1.00 0.72 C ATOM 0 H LEU A 57 -6.873 5.389 8.578 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.057 5.068 6.988 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.691 6.370 9.203 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.246 7.734 8.197 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.655 7.617 9.057 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.566 8.555 6.969 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.936 9.178 7.320 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.161 7.923 6.078 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.219 6.292 7.690 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.842 5.561 6.832 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -11.070 5.258 8.571 1.00 0.72 H new ATOM 949 N GLU A 58 -7.139 7.467 5.764 1.00 0.39 N ATOM 950 CA GLU A 58 -6.878 8.240 4.560 1.00 0.43 C ATOM 951 C GLU A 58 -5.992 7.466 3.595 1.00 0.51 C ATOM 952 O GLU A 58 -5.301 6.525 3.985 1.00 1.09 O ATOM 953 CB GLU A 58 -6.217 9.572 4.919 1.00 0.44 C ATOM 954 CG GLU A 58 -4.788 9.426 5.415 1.00 0.44 C ATOM 955 CD GLU A 58 -4.524 10.216 6.682 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.158 11.276 6.865 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.681 9.774 7.491 1.00 1.54 O ATOM 0 H GLU A 58 -6.487 7.641 6.529 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.832 8.434 4.070 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.224 10.220 4.043 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.811 10.068 5.687 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.577 8.372 5.598 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.102 9.757 4.636 1.00 0.44 H new ATOM 964 N ASN A 59 -6.019 7.871 2.332 1.00 0.31 N ATOM 965 CA ASN A 59 -5.218 7.217 1.306 1.00 0.28 C ATOM 966 C ASN A 59 -3.743 7.621 1.396 1.00 0.28 C ATOM 967 O ASN A 59 -2.917 7.141 0.623 1.00 0.49 O ATOM 968 CB ASN A 59 -5.763 7.535 -0.085 1.00 0.32 C ATOM 969 CG ASN A 59 -7.278 7.564 -0.124 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.945 7.025 0.758 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.832 8.195 -1.154 1.00 0.91 N ATOM 0 H ASN A 59 -6.586 8.648 1.994 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.283 6.143 1.478 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.376 8.501 -0.411 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.399 6.790 -0.793 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.848 8.246 -1.235 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.242 8.629 -1.864 1.00 0.91 H new ATOM 978 N GLU A 60 -3.414 8.498 2.346 1.00 0.29 N ATOM 979 CA GLU A 60 -2.039 8.944 2.528 1.00 0.29 C ATOM 980 C GLU A 60 -1.421 8.231 3.722 1.00 0.27 C ATOM 981 O GLU A 60 -1.723 8.551 4.871 1.00 0.35 O ATOM 982 CB GLU A 60 -1.990 10.459 2.733 1.00 0.34 C ATOM 983 CG GLU A 60 -0.580 11.010 2.879 1.00 0.49 C ATOM 984 CD GLU A 60 0.403 10.354 1.930 1.00 1.26 C ATOM 985 OE1 GLU A 60 0.130 9.223 1.478 1.00 1.91 O ATOM 986 OE2 GLU A 60 1.448 10.973 1.638 1.00 2.05 O ATOM 0 H GLU A 60 -4.082 8.910 2.998 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.468 8.700 1.632 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.476 10.947 1.888 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.565 10.715 3.623 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.593 12.085 2.697 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.241 10.865 3.905 1.00 0.49 H new ATOM 993 N PHE A 61 -0.570 7.250 3.444 1.00 0.24 N ATOM 994 CA PHE A 61 0.066 6.481 4.507 1.00 0.24 C ATOM 995 C PHE A 61 1.534 6.178 4.193 1.00 0.24 C ATOM 996 O PHE A 61 1.990 6.344 3.062 1.00 0.25 O ATOM 997 CB PHE A 61 -0.719 5.182 4.726 1.00 0.28 C ATOM 998 CG PHE A 61 -0.007 4.161 5.563 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.081 4.197 6.945 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.738 3.166 4.959 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.576 3.254 7.710 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.394 2.221 5.715 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.317 2.265 7.094 1.00 0.48 C ATOM 0 H PHE A 61 -0.306 6.970 2.499 1.00 0.24 H new ATOM 0 HA PHE A 61 0.054 7.078 5.419 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.671 5.423 5.200 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.948 4.742 3.755 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.658 4.970 7.429 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.806 3.129 3.882 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.511 3.290 8.787 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.969 1.445 5.231 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.835 1.527 7.689 1.00 0.48 H new ATOM 1013 N THR A 62 2.260 5.733 5.219 1.00 0.25 N ATOM 1014 CA THR A 62 3.671 5.400 5.090 1.00 0.27 C ATOM 1015 C THR A 62 3.905 3.929 5.373 1.00 0.29 C ATOM 1016 O THR A 62 3.619 3.451 6.470 1.00 0.35 O ATOM 1017 CB THR A 62 4.494 6.246 6.059 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.334 7.625 5.785 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.976 5.942 6.040 1.00 0.37 C ATOM 0 H THR A 62 1.885 5.595 6.157 1.00 0.25 H new ATOM 0 HA THR A 62 3.982 5.611 4.067 1.00 0.27 H new ATOM 0 HB THR A 62 4.110 5.988 7.046 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.902 7.876 5.027 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.489 6.585 6.756 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.137 4.898 6.310 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.372 6.123 5.041 1.00 0.37 H new ATOM 1027 N VAL A 63 4.425 3.206 4.388 1.00 0.31 N ATOM 1028 CA VAL A 63 4.675 1.790 4.568 1.00 0.36 C ATOM 1029 C VAL A 63 5.992 1.549 5.288 1.00 0.38 C ATOM 1030 O VAL A 63 7.065 1.591 4.686 1.00 0.50 O ATOM 1031 CB VAL A 63 4.670 1.041 3.226 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.715 -0.461 3.452 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.445 1.429 2.416 1.00 0.58 C ATOM 0 H VAL A 63 4.677 3.574 3.471 1.00 0.31 H new ATOM 0 HA VAL A 63 3.864 1.401 5.183 1.00 0.36 H new ATOM 0 HB VAL A 63 5.560 1.324 2.664 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.711 -0.974 2.490 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.623 -0.720 3.997 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.844 -0.768 4.031 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.451 0.893 1.467 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.544 1.171 2.973 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.459 2.502 2.226 1.00 0.58 H new ATOM 1043 N SER A 64 5.896 1.300 6.588 1.00 0.49 N ATOM 1044 CA SER A 64 7.070 1.054 7.412 1.00 0.55 C ATOM 1045 C SER A 64 7.540 -0.394 7.286 1.00 0.63 C ATOM 1046 O SER A 64 7.246 -1.068 6.298 1.00 0.99 O ATOM 1047 CB SER A 64 6.763 1.390 8.874 1.00 0.63 C ATOM 1048 OG SER A 64 6.427 0.229 9.616 1.00 1.33 O ATOM 0 H SER A 64 5.012 1.263 7.095 1.00 0.49 H new ATOM 0 HA SER A 64 7.876 1.698 7.060 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.629 1.874 9.326 1.00 0.63 H new ATOM 0 HB3 SER A 64 5.939 2.103 8.919 1.00 0.63 H new ATOM 0 HG SER A 64 6.239 0.478 10.545 1.00 1.33 H new ATOM 1054 N GLY A 65 8.275 -0.863 8.290 1.00 0.71 N ATOM 1055 CA GLY A 65 8.774 -2.224 8.270 1.00 0.78 C ATOM 1056 C GLY A 65 9.553 -2.529 7.005 1.00 0.72 C ATOM 1057 O GLY A 65 9.357 -3.572 6.384 1.00 0.90 O ATOM 0 H GLY A 65 8.533 -0.324 9.116 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.414 -2.388 9.137 1.00 0.78 H new ATOM 0 HA3 GLY A 65 7.937 -2.917 8.356 1.00 0.78 H new ATOM 1061 N LEU A 66 10.436 -1.611 6.624 1.00 0.64 N ATOM 1062 CA LEU A 66 11.245 -1.781 5.422 1.00 0.65 C ATOM 1063 C LEU A 66 12.529 -2.545 5.725 1.00 0.59 C ATOM 1064 O LEU A 66 12.757 -2.987 6.852 1.00 0.65 O ATOM 1065 CB LEU A 66 11.591 -0.417 4.814 1.00 0.74 C ATOM 1066 CG LEU A 66 10.494 0.228 3.961 1.00 0.89 C ATOM 1067 CD1 LEU A 66 11.073 1.360 3.126 1.00 0.89 C ATOM 1068 CD2 LEU A 66 9.825 -0.804 3.065 1.00 1.47 C ATOM 0 H LEU A 66 10.609 -0.742 7.130 1.00 0.64 H new ATOM 0 HA LEU A 66 10.659 -2.358 4.707 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.845 0.267 5.624 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.484 -0.530 4.200 1.00 0.74 H new ATOM 0 HG LEU A 66 9.737 0.637 4.630 1.00 0.89 H new ATOM 0 HD11 LEU A 66 10.283 1.810 2.525 1.00 0.89 H new ATOM 0 HD12 LEU A 66 11.502 2.115 3.785 1.00 0.89 H new ATOM 0 HD13 LEU A 66 11.850 0.967 2.470 1.00 0.89 H new ATOM 0 HD21 LEU A 66 9.050 -0.321 2.470 1.00 1.47 H new ATOM 0 HD22 LEU A 66 10.568 -1.247 2.402 1.00 1.47 H new ATOM 0 HD23 LEU A 66 9.377 -1.584 3.680 1.00 1.47 H new ATOM 1080 N THR A 67 13.364 -2.693 4.703 1.00 0.65 N ATOM 1081 CA THR A 67 14.632 -3.399 4.837 1.00 0.69 C ATOM 1082 C THR A 67 15.636 -2.886 3.808 1.00 0.72 C ATOM 1083 O THR A 67 15.438 -3.044 2.604 1.00 1.06 O ATOM 1084 CB THR A 67 14.422 -4.903 4.656 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.272 -5.336 5.359 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.593 -5.734 5.134 1.00 0.99 C ATOM 0 H THR A 67 13.184 -2.331 3.767 1.00 0.65 H new ATOM 0 HA THR A 67 15.027 -3.215 5.836 1.00 0.69 H new ATOM 0 HB THR A 67 14.308 -5.051 3.582 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.660 -5.786 4.740 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.378 -6.791 4.976 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.487 -5.459 4.575 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.759 -5.552 6.196 1.00 0.99 H new ATOM 1094 N GLU A 68 16.710 -2.266 4.289 1.00 0.66 N ATOM 1095 CA GLU A 68 17.736 -1.726 3.406 1.00 0.67 C ATOM 1096 C GLU A 68 18.213 -2.775 2.407 1.00 0.60 C ATOM 1097 O GLU A 68 18.506 -3.913 2.775 1.00 0.69 O ATOM 1098 CB GLU A 68 18.919 -1.201 4.220 1.00 0.76 C ATOM 1099 CG GLU A 68 19.594 0.012 3.598 1.00 0.96 C ATOM 1100 CD GLU A 68 21.053 -0.236 3.271 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.458 -1.416 3.218 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.792 0.751 3.067 1.00 1.89 O ATOM 0 H GLU A 68 16.891 -2.126 5.283 1.00 0.66 H new ATOM 0 HA GLU A 68 17.294 -0.900 2.848 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.574 -0.941 5.221 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.654 -1.998 4.333 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.064 0.291 2.687 1.00 0.96 H new ATOM 0 HG3 GLU A 68 19.518 0.857 4.283 1.00 0.96 H new ATOM 1109 N ASP A 69 18.290 -2.380 1.139 1.00 0.52 N ATOM 1110 CA ASP A 69 18.732 -3.277 0.078 1.00 0.49 C ATOM 1111 C ASP A 69 17.668 -4.326 -0.233 1.00 0.44 C ATOM 1112 O ASP A 69 17.905 -5.526 -0.095 1.00 0.54 O ATOM 1113 CB ASP A 69 20.045 -3.959 0.475 1.00 0.59 C ATOM 1114 CG ASP A 69 21.073 -3.933 -0.637 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.207 -2.881 -1.298 1.00 1.87 O ATOM 1116 OD2 ASP A 69 21.746 -4.963 -0.848 1.00 1.66 O ATOM 0 H ASP A 69 18.051 -1.441 0.822 1.00 0.52 H new ATOM 0 HA ASP A 69 18.896 -2.683 -0.821 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.455 -3.465 1.356 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.843 -4.993 0.754 1.00 0.59 H new ATOM 1121 N ALA A 70 16.491 -3.868 -0.656 1.00 0.40 N ATOM 1122 CA ALA A 70 15.398 -4.775 -0.984 1.00 0.40 C ATOM 1123 C ALA A 70 14.251 -4.047 -1.672 1.00 0.35 C ATOM 1124 O ALA A 70 13.644 -3.142 -1.098 1.00 0.36 O ATOM 1125 CB ALA A 70 14.890 -5.464 0.271 1.00 0.49 C ATOM 0 H ALA A 70 16.273 -2.879 -0.778 1.00 0.40 H new ATOM 0 HA ALA A 70 15.788 -5.522 -1.676 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.074 -6.138 0.011 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.700 -6.033 0.727 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.531 -4.715 0.977 1.00 0.49 H new ATOM 1131 N ALA A 71 13.948 -4.452 -2.899 1.00 0.33 N ATOM 1132 CA ALA A 71 12.861 -3.841 -3.649 1.00 0.30 C ATOM 1133 C ALA A 71 11.526 -4.275 -3.060 1.00 0.27 C ATOM 1134 O ALA A 71 11.267 -5.468 -2.902 1.00 0.36 O ATOM 1135 CB ALA A 71 12.954 -4.206 -5.122 1.00 0.34 C ATOM 0 H ALA A 71 14.438 -5.198 -3.393 1.00 0.33 H new ATOM 0 HA ALA A 71 12.940 -2.757 -3.573 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.132 -3.739 -5.665 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.903 -3.852 -5.525 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.894 -5.289 -5.233 1.00 0.34 H new ATOM 1141 N TYR A 72 10.690 -3.305 -2.717 1.00 0.24 N ATOM 1142 CA TYR A 72 9.396 -3.604 -2.122 1.00 0.24 C ATOM 1143 C TYR A 72 8.237 -3.032 -2.933 1.00 0.21 C ATOM 1144 O TYR A 72 8.152 -1.822 -3.141 1.00 0.23 O ATOM 1145 CB TYR A 72 9.334 -3.035 -0.704 1.00 0.30 C ATOM 1146 CG TYR A 72 10.076 -3.852 0.327 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.462 -4.918 0.980 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.396 -3.560 0.642 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.150 -5.664 1.919 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.088 -4.302 1.578 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.422 -5.360 2.237 1.00 0.46 C ATOM 1152 OH TYR A 72 12.150 -6.094 3.147 1.00 0.56 O ATOM 0 H TYR A 72 10.883 -2.311 -2.840 1.00 0.24 H new ATOM 0 HA TYR A 72 9.295 -4.689 -2.107 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.743 -2.025 -0.712 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.290 -2.954 -0.403 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.436 -5.165 0.750 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.890 -2.738 0.146 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.662 -6.498 2.402 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.120 -4.078 1.803 1.00 0.42 H new ATOM 0 HH TYR A 72 12.853 -6.591 2.679 1.00 0.56 H new ATOM 1162 N GLU A 73 7.330 -3.905 -3.360 1.00 0.21 N ATOM 1163 CA GLU A 73 6.155 -3.474 -4.117 1.00 0.21 C ATOM 1164 C GLU A 73 4.962 -3.441 -3.171 1.00 0.23 C ATOM 1165 O GLU A 73 4.759 -4.385 -2.411 1.00 0.32 O ATOM 1166 CB GLU A 73 5.887 -4.417 -5.290 1.00 0.25 C ATOM 1167 CG GLU A 73 6.178 -3.794 -6.646 1.00 0.65 C ATOM 1168 CD GLU A 73 6.428 -4.830 -7.723 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.987 -5.901 -7.401 1.00 1.50 O ATOM 1170 OE2 GLU A 73 6.066 -4.572 -8.890 1.00 1.32 O ATOM 0 H GLU A 73 7.383 -4.910 -3.197 1.00 0.21 H new ATOM 0 HA GLU A 73 6.328 -2.481 -4.532 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.496 -5.313 -5.172 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.845 -4.734 -5.261 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.338 -3.165 -6.940 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.049 -3.144 -6.563 1.00 0.65 H new ATOM 1177 N PHE A 74 4.186 -2.358 -3.172 1.00 0.22 N ATOM 1178 CA PHE A 74 3.055 -2.287 -2.230 1.00 0.28 C ATOM 1179 C PHE A 74 1.667 -2.330 -2.875 1.00 0.25 C ATOM 1180 O PHE A 74 1.222 -1.361 -3.489 1.00 0.30 O ATOM 1181 CB PHE A 74 3.157 -1.038 -1.340 1.00 0.39 C ATOM 1182 CG PHE A 74 4.533 -0.441 -1.267 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.591 -1.160 -0.732 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.767 0.836 -1.739 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.859 -0.610 -0.673 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.027 1.388 -1.682 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.075 0.664 -1.149 1.00 0.53 C ATOM 0 H PHE A 74 4.304 -1.549 -3.782 1.00 0.22 H new ATOM 0 HA PHE A 74 3.145 -3.196 -1.636 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.466 -0.283 -1.714 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.832 -1.297 -0.332 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.424 -2.159 -0.358 1.00 0.42 H new ATOM 0 HD2 PHE A 74 3.952 1.408 -2.158 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.677 -1.178 -0.255 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.196 2.388 -2.054 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.064 1.097 -1.105 1.00 0.53 H new ATOM 1197 N ARG A 75 0.972 -3.455 -2.666 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.396 -3.653 -3.153 1.00 0.34 C ATOM 1199 C ARG A 75 -1.325 -3.342 -1.986 1.00 0.31 C ATOM 1200 O ARG A 75 -1.167 -3.924 -0.917 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.616 -5.108 -3.611 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.674 -5.278 -4.693 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.483 -6.566 -5.499 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.307 -7.747 -4.647 1.00 0.87 N ATOM 1205 CZ ARG A 75 -2.099 -8.829 -4.661 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -3.129 -8.874 -5.494 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -1.881 -9.863 -3.853 1.00 2.11 N ATOM 0 H ARG A 75 1.344 -4.254 -2.153 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.589 -3.007 -4.009 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.329 -5.506 -3.980 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.899 -5.708 -2.747 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.662 -5.283 -4.233 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.641 -4.422 -5.367 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -2.347 -6.716 -6.146 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -0.614 -6.458 -6.147 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.523 -7.745 -3.995 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.315 -8.089 -6.118 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -3.736 -9.694 -5.511 1.00 1.87 H new ATOM 0 HH21 ARG A 75 -1.096 -9.845 -3.202 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -2.499 -10.674 -3.884 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.273 -2.426 -2.151 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.150 -2.096 -1.023 1.00 0.39 C ATOM 1223 C VAL A 76 -4.561 -2.663 -1.156 1.00 0.31 C ATOM 1224 O VAL A 76 -5.315 -2.324 -2.067 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.205 -0.561 -0.722 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.202 0.272 -1.990 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.408 -0.186 0.146 1.00 0.47 C ATOM 0 H VAL A 76 -2.454 -1.915 -3.015 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.685 -2.590 -0.170 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.297 -0.335 -0.163 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.241 1.330 -1.730 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.292 0.071 -2.556 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.071 0.015 -2.596 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.404 0.889 0.328 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.328 -0.463 -0.368 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.350 -0.716 1.097 1.00 0.47 H new ATOM 1237 N ILE A 77 -4.903 -3.498 -0.180 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.209 -4.105 -0.076 1.00 0.31 C ATOM 1239 C ILE A 77 -6.969 -3.319 0.983 1.00 0.30 C ATOM 1240 O ILE A 77 -6.353 -2.582 1.752 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.102 -5.587 0.353 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.495 -6.430 -0.765 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.461 -6.134 0.743 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.046 -7.800 -0.312 1.00 0.42 C ATOM 0 H ILE A 77 -4.265 -3.771 0.568 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.717 -4.082 -1.040 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.446 -5.639 1.222 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.228 -6.542 -1.563 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.642 -5.899 -1.188 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.361 -7.178 1.041 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.861 -5.555 1.576 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.140 -6.063 -0.107 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.625 -8.343 -1.158 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.289 -7.696 0.465 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.900 -8.350 0.084 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.283 -3.452 1.047 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.021 -2.705 2.058 1.00 0.30 C ATOM 1258 C ALA A 78 -10.492 -3.065 2.095 1.00 0.34 C ATOM 1259 O ALA A 78 -11.196 -2.941 1.096 1.00 0.60 O ATOM 1260 CB ALA A 78 -8.857 -1.210 1.820 1.00 0.39 C ATOM 0 H ALA A 78 -8.846 -4.046 0.438 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.602 -2.977 3.027 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.411 -0.658 2.579 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -7.801 -0.946 1.878 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.241 -0.954 0.833 1.00 0.39 H new ATOM 1266 N LYS A 79 -10.960 -3.492 3.261 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.357 -3.839 3.408 1.00 0.43 C ATOM 1268 C LYS A 79 -13.204 -2.614 3.115 1.00 0.59 C ATOM 1269 O LYS A 79 -12.715 -1.642 2.538 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.653 -4.366 4.811 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.859 -5.602 5.186 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.691 -6.542 6.045 1.00 1.50 C ATOM 1273 CE LYS A 79 -11.947 -7.833 6.341 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.312 -8.392 7.672 1.00 1.98 N ATOM 0 H LYS A 79 -10.397 -3.603 4.105 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.599 -4.633 2.702 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.444 -3.579 5.535 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.716 -4.593 4.886 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.535 -6.119 4.283 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -10.958 -5.310 5.726 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -12.950 -6.047 6.981 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.627 -6.769 5.535 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.170 -8.566 5.566 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -10.873 -7.649 6.307 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.783 -9.272 7.836 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.076 -7.703 8.414 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.332 -8.592 7.697 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.465 -2.650 3.506 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.340 -1.528 3.263 1.00 0.70 C ATOM 1290 C ASN A 80 -16.231 -1.242 4.475 1.00 0.87 C ATOM 1291 O ASN A 80 -15.772 -0.648 5.451 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.140 -1.783 1.995 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.388 -1.305 0.772 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -14.326 -0.693 0.885 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -15.926 -1.583 -0.400 1.00 2.05 N ATOM 0 H ASN A 80 -14.899 -3.437 3.988 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.744 -0.628 3.113 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.351 -2.848 1.903 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.101 -1.272 2.058 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -15.460 -1.288 -1.258 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.808 -2.093 -0.448 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.493 -1.655 4.426 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.402 -1.422 5.540 1.00 0.82 C ATOM 1304 C ALA A 81 -19.169 -2.687 5.913 1.00 0.88 C ATOM 1305 O ALA A 81 -19.365 -2.981 7.093 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.372 -0.300 5.205 1.00 0.83 C ATOM 0 H ALA A 81 -17.906 -2.148 3.634 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.801 -1.130 6.401 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.045 -0.137 6.047 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.815 0.615 5.004 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.953 -0.572 4.324 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.612 -3.426 4.903 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.370 -4.651 5.127 1.00 0.90 C ATOM 1314 C ALA A 82 -19.508 -5.899 4.939 1.00 0.88 C ATOM 1315 O ALA A 82 -19.960 -6.890 4.367 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.568 -4.691 4.191 1.00 0.94 C ATOM 0 H ALA A 82 -19.459 -3.198 3.921 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.713 -4.648 6.161 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.132 -5.608 4.361 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.208 -3.830 4.383 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -21.223 -4.664 3.157 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.271 -5.853 5.426 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.384 -6.995 5.298 1.00 0.86 C ATOM 1324 C GLY A 83 -16.988 -7.285 3.862 1.00 0.78 C ATOM 1325 O GLY A 83 -16.383 -8.319 3.578 1.00 0.93 O ATOM 0 H GLY A 83 -17.868 -5.048 5.905 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.485 -6.816 5.887 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.871 -7.875 5.719 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.322 -6.374 2.951 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.985 -6.551 1.544 1.00 0.78 C ATOM 1331 C ALA A 84 -15.518 -6.225 1.307 1.00 0.76 C ATOM 1332 O ALA A 84 -15.168 -5.090 0.985 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.871 -5.675 0.670 1.00 0.92 C ATOM 0 H ALA A 84 -17.823 -5.511 3.162 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.158 -7.593 1.275 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.606 -5.820 -0.377 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.915 -5.948 0.821 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.727 -4.629 0.939 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.660 -7.224 1.482 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.231 -7.031 1.298 1.00 0.40 C ATOM 1341 C ILE A 85 -12.905 -6.551 -0.109 1.00 0.38 C ATOM 1342 O ILE A 85 -13.048 -7.292 -1.082 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.430 -8.317 1.606 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.936 -7.998 1.716 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.675 -9.375 0.540 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.378 -8.190 3.109 1.00 0.79 C ATOM 0 H ILE A 85 -14.930 -8.171 1.750 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.933 -6.260 2.009 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.772 -8.715 2.561 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.385 -8.633 1.022 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.769 -6.967 1.405 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.101 -10.271 0.778 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.736 -9.622 0.509 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.363 -8.992 -0.432 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.316 -7.946 3.112 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.903 -7.535 3.805 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.513 -9.227 3.415 1.00 0.79 H new ATOM 1358 N SER A 86 -12.456 -5.304 -0.211 1.00 0.39 N ATOM 1359 CA SER A 86 -12.103 -4.740 -1.505 1.00 0.45 C ATOM 1360 C SER A 86 -10.786 -5.347 -1.982 1.00 0.44 C ATOM 1361 O SER A 86 -9.756 -5.199 -1.312 1.00 0.43 O ATOM 1362 CB SER A 86 -11.997 -3.213 -1.427 1.00 0.54 C ATOM 1363 OG SER A 86 -10.654 -2.790 -1.267 1.00 0.59 O ATOM 0 H SER A 86 -12.330 -4.672 0.579 1.00 0.39 H new ATOM 0 HA SER A 86 -12.889 -4.981 -2.221 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.412 -2.772 -2.333 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.596 -2.848 -0.592 1.00 0.54 H new ATOM 0 HG SER A 86 -10.542 -2.384 -0.382 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.792 -6.043 -3.137 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.596 -6.674 -3.682 1.00 0.61 C ATOM 1371 C PRO A 87 -8.373 -5.775 -3.593 1.00 0.54 C ATOM 1372 O PRO A 87 -8.487 -4.578 -3.328 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.952 -6.963 -5.149 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.331 -6.423 -5.359 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.953 -6.276 -4.001 1.00 0.59 C ATOM 0 HA PRO A 87 -9.330 -7.571 -3.122 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.241 -6.486 -5.823 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.918 -8.033 -5.354 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.295 -5.463 -5.873 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.919 -7.097 -5.982 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.657 -5.444 -3.966 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.502 -7.171 -3.708 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.178 -6.346 -3.811 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.922 -5.598 -3.749 1.00 0.56 C ATOM 1385 C PRO A 88 -5.827 -4.528 -4.823 1.00 0.48 C ATOM 1386 O PRO A 88 -6.370 -4.675 -5.918 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.844 -6.670 -3.965 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.530 -7.972 -3.715 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.955 -7.765 -4.127 1.00 0.72 C ATOM 0 HA PRO A 88 -5.822 -5.062 -2.805 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.441 -6.625 -4.977 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.006 -6.529 -3.282 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.069 -8.774 -4.291 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.463 -8.254 -2.664 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.105 -7.973 -5.187 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.635 -8.415 -3.576 1.00 0.72 H new ATOM 1397 N SER A 89 -5.122 -3.453 -4.498 1.00 0.43 N ATOM 1398 CA SER A 89 -4.936 -2.350 -5.427 1.00 0.42 C ATOM 1399 C SER A 89 -3.535 -2.422 -6.018 1.00 0.35 C ATOM 1400 O SER A 89 -2.559 -2.475 -5.266 1.00 0.51 O ATOM 1401 CB SER A 89 -5.137 -1.012 -4.715 1.00 0.56 C ATOM 1402 OG SER A 89 -6.302 -1.034 -3.909 1.00 1.28 O ATOM 0 H SER A 89 -4.668 -3.322 -3.594 1.00 0.43 H new ATOM 0 HA SER A 89 -5.673 -2.427 -6.226 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.267 -0.791 -4.096 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.216 -0.212 -5.452 1.00 0.56 H new ATOM 0 HG SER A 89 -6.123 -1.541 -3.089 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.454 -2.438 -7.363 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.177 -2.523 -8.103 1.00 0.37 C ATOM 1410 C GLU A 90 -0.978 -2.059 -7.272 1.00 0.34 C ATOM 1411 O GLU A 90 -0.913 -0.905 -6.857 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.245 -1.704 -9.389 1.00 0.49 C ATOM 1413 CG GLU A 90 -3.410 -2.082 -10.290 1.00 0.90 C ATOM 1414 CD GLU A 90 -3.297 -1.481 -11.677 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.574 -0.474 -11.832 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -3.933 -2.016 -12.609 1.00 1.77 O ATOM 0 H GLU A 90 -4.273 -2.392 -7.969 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.030 -3.577 -8.339 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.322 -0.647 -9.133 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.314 -1.831 -9.941 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -3.463 -3.168 -10.372 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -4.341 -1.752 -9.830 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.022 -2.963 -7.008 1.00 0.30 N ATOM 1424 CA PRO A 91 1.163 -2.657 -6.213 1.00 0.29 C ATOM 1425 C PRO A 91 1.839 -1.344 -6.569 1.00 0.31 C ATOM 1426 O PRO A 91 1.596 -0.756 -7.621 1.00 0.55 O ATOM 1427 CB PRO A 91 2.101 -3.808 -6.538 1.00 0.36 C ATOM 1428 CG PRO A 91 1.192 -4.958 -6.764 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.024 -4.372 -7.449 1.00 0.39 C ATOM 0 HA PRO A 91 0.898 -2.548 -5.161 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.703 -3.595 -7.421 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.794 -4.002 -5.719 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.666 -5.719 -7.385 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.922 -5.437 -5.823 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.048 -4.453 -8.534 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.939 -4.885 -7.151 1.00 0.39 H new ATOM 1437 N SER A 92 2.712 -0.918 -5.669 1.00 0.27 N ATOM 1438 CA SER A 92 3.483 0.302 -5.834 1.00 0.31 C ATOM 1439 C SER A 92 4.881 -0.052 -6.294 1.00 0.27 C ATOM 1440 O SER A 92 5.412 -1.093 -5.895 1.00 0.24 O ATOM 1441 CB SER A 92 3.588 1.048 -4.511 1.00 0.39 C ATOM 1442 OG SER A 92 2.643 2.084 -4.414 1.00 1.23 O ATOM 0 H SER A 92 2.906 -1.413 -4.799 1.00 0.27 H new ATOM 0 HA SER A 92 2.983 0.934 -6.568 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.444 0.348 -3.688 1.00 0.39 H new ATOM 0 HB3 SER A 92 4.591 1.461 -4.407 1.00 0.39 H new ATOM 0 HG SER A 92 2.577 2.548 -5.274 1.00 1.23 H new ATOM 1448 N ASP A 93 5.472 0.816 -7.121 1.00 0.33 N ATOM 1449 CA ASP A 93 6.825 0.605 -7.645 1.00 0.36 C ATOM 1450 C ASP A 93 7.738 -0.030 -6.604 1.00 0.32 C ATOM 1451 O ASP A 93 7.807 0.423 -5.462 1.00 0.56 O ATOM 1452 CB ASP A 93 7.426 1.929 -8.112 1.00 0.45 C ATOM 1453 CG ASP A 93 7.998 1.846 -9.512 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.967 1.086 -9.710 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.477 2.542 -10.408 1.00 1.55 O ATOM 0 H ASP A 93 5.031 1.677 -7.444 1.00 0.33 H new ATOM 0 HA ASP A 93 6.744 -0.078 -8.490 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.659 2.703 -8.082 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.212 2.232 -7.420 1.00 0.45 H new ATOM 1460 N ALA A 94 8.428 -1.081 -7.007 1.00 0.33 N ATOM 1461 CA ALA A 94 9.329 -1.780 -6.108 1.00 0.28 C ATOM 1462 C ALA A 94 10.499 -0.892 -5.716 1.00 0.29 C ATOM 1463 O ALA A 94 11.447 -0.721 -6.482 1.00 0.41 O ATOM 1464 CB ALA A 94 9.828 -3.063 -6.752 1.00 0.34 C ATOM 0 H ALA A 94 8.382 -1.469 -7.949 1.00 0.33 H new ATOM 0 HA ALA A 94 8.778 -2.035 -5.203 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.502 -3.576 -6.066 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.980 -3.710 -6.979 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.360 -2.825 -7.673 1.00 0.34 H new ATOM 1470 N ILE A 95 10.427 -0.329 -4.518 1.00 0.25 N ATOM 1471 CA ILE A 95 11.485 0.537 -4.028 1.00 0.28 C ATOM 1472 C ILE A 95 12.628 -0.293 -3.446 1.00 0.26 C ATOM 1473 O ILE A 95 12.460 -0.969 -2.435 1.00 0.25 O ATOM 1474 CB ILE A 95 10.957 1.529 -2.966 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.906 2.457 -3.585 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.103 2.348 -2.383 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.480 1.983 -3.395 1.00 0.44 C ATOM 0 H ILE A 95 9.649 -0.457 -3.871 1.00 0.25 H new ATOM 0 HA ILE A 95 11.858 1.114 -4.874 1.00 0.28 H new ATOM 0 HB ILE A 95 10.494 0.959 -2.161 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.010 3.450 -3.148 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.106 2.556 -4.652 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.713 3.041 -1.637 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.826 1.680 -1.915 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.591 2.910 -3.180 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.796 2.692 -3.860 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.357 1.004 -3.858 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.259 1.911 -2.330 1.00 0.44 H new ATOM 1489 N THR A 96 13.785 -0.244 -4.098 1.00 0.29 N ATOM 1490 CA THR A 96 14.951 -0.997 -3.648 1.00 0.32 C ATOM 1491 C THR A 96 15.240 -0.735 -2.175 1.00 0.32 C ATOM 1492 O THR A 96 15.793 -1.587 -1.482 1.00 0.38 O ATOM 1493 CB THR A 96 16.174 -0.638 -4.492 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.871 -0.726 -5.873 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.368 -1.530 -4.225 1.00 0.43 C ATOM 0 H THR A 96 13.941 0.310 -4.940 1.00 0.29 H new ATOM 0 HA THR A 96 14.732 -2.058 -3.770 1.00 0.32 H new ATOM 0 HB THR A 96 16.433 0.382 -4.208 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.665 -0.491 -6.398 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.201 -1.221 -4.856 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.657 -1.448 -3.177 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.107 -2.564 -4.449 1.00 0.43 H new ATOM 1503 N CYS A 97 14.862 0.444 -1.698 1.00 0.32 N ATOM 1504 CA CYS A 97 15.087 0.801 -0.301 1.00 0.36 C ATOM 1505 C CYS A 97 16.562 0.659 0.065 1.00 0.43 C ATOM 1506 O CYS A 97 16.952 -0.299 0.726 1.00 0.64 O ATOM 1507 CB CYS A 97 14.243 -0.096 0.609 1.00 0.38 C ATOM 1508 SG CYS A 97 12.475 -0.069 0.245 1.00 1.10 S ATOM 0 H CYS A 97 14.401 1.166 -2.252 1.00 0.32 H new ATOM 0 HA CYS A 97 14.793 1.841 -0.162 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.604 -1.121 0.525 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.394 0.211 1.644 1.00 0.38 H new ATOM 0 HG CYS A 97 12.266 -0.580 -0.932 1.00 1.10 H new ATOM 1514 N ARG A 98 17.379 1.614 -0.368 1.00 0.53 N ATOM 1515 CA ARG A 98 18.811 1.580 -0.077 1.00 0.63 C ATOM 1516 C ARG A 98 19.309 2.945 0.386 1.00 0.80 C ATOM 1517 O ARG A 98 19.346 3.232 1.581 1.00 1.04 O ATOM 1518 CB ARG A 98 19.599 1.106 -1.307 1.00 0.68 C ATOM 1519 CG ARG A 98 18.947 1.466 -2.635 1.00 0.74 C ATOM 1520 CD ARG A 98 19.954 2.057 -3.611 1.00 0.92 C ATOM 1521 NE ARG A 98 21.153 1.232 -3.729 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.259 0.188 -4.547 1.00 2.31 C ATOM 1523 NH1 ARG A 98 20.241 -0.164 -5.320 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.388 -0.507 -4.591 1.00 2.68 N ATOM 0 H ARG A 98 17.078 2.418 -0.919 1.00 0.53 H new ATOM 0 HA ARG A 98 18.974 0.870 0.734 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.598 1.540 -1.275 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.719 0.024 -1.254 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.495 0.576 -3.072 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.142 2.181 -2.464 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.489 2.163 -4.591 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.234 3.058 -3.281 1.00 0.92 H new ATOM 0 HE ARG A 98 21.958 1.470 -3.149 1.00 1.64 H new ATOM 0 HH11 ARG A 98 19.370 0.367 -5.290 1.00 3.00 H new ATOM 0 HH12 ARG A 98 20.328 -0.965 -5.945 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.174 -0.241 -3.998 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.470 -1.307 -5.218 1.00 2.68 H new ATOM 1538 N ASP A 99 19.686 3.784 -0.567 1.00 0.92 N ATOM 1539 CA ASP A 99 20.176 5.122 -0.263 1.00 1.20 C ATOM 1540 C ASP A 99 19.109 6.183 -0.542 1.00 1.03 C ATOM 1541 O ASP A 99 19.326 7.368 -0.292 1.00 1.20 O ATOM 1542 CB ASP A 99 21.429 5.420 -1.085 1.00 1.61 C ATOM 1543 CG ASP A 99 21.183 6.456 -2.164 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.034 6.553 -2.643 1.00 2.14 O ATOM 1545 OD2 ASP A 99 22.141 7.168 -2.532 1.00 2.08 O ATOM 0 H ASP A 99 19.662 3.561 -1.562 1.00 0.92 H new ATOM 0 HA ASP A 99 20.420 5.156 0.799 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.219 5.771 -0.422 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.785 4.498 -1.545 1.00 1.61 H new ATOM 1550 N ASP A 100 17.959 5.754 -1.062 1.00 0.85 N ATOM 1551 CA ASP A 100 16.865 6.666 -1.378 1.00 0.92 C ATOM 1552 C ASP A 100 17.351 7.855 -2.197 1.00 1.22 C ATOM 1553 O ASP A 100 16.744 8.926 -2.178 1.00 1.38 O ATOM 1554 CB ASP A 100 16.165 7.141 -0.100 1.00 0.87 C ATOM 1555 CG ASP A 100 16.974 8.165 0.675 1.00 1.32 C ATOM 1556 OD1 ASP A 100 17.021 9.335 0.242 1.00 2.06 O ATOM 1557 OD2 ASP A 100 17.557 7.796 1.715 1.00 2.03 O ATOM 0 H ASP A 100 17.763 4.776 -1.273 1.00 0.85 H new ATOM 0 HA ASP A 100 16.143 6.117 -1.983 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.198 7.572 -0.361 1.00 0.87 H new ATOM 0 HB3 ASP A 100 15.968 6.281 0.541 1.00 0.87 H new ATOM 1562 N VAL A 101 18.441 7.653 -2.921 1.00 1.43 N ATOM 1563 CA VAL A 101 19.008 8.696 -3.760 1.00 1.90 C ATOM 1564 C VAL A 101 18.962 8.289 -5.228 1.00 2.23 C ATOM 1565 O VAL A 101 18.988 9.138 -6.119 1.00 2.80 O ATOM 1566 CB VAL A 101 20.462 9.008 -3.369 1.00 2.20 C ATOM 1567 CG1 VAL A 101 20.933 10.279 -4.053 1.00 2.67 C ATOM 1568 CG2 VAL A 101 20.590 9.124 -1.860 1.00 2.22 C ATOM 0 H VAL A 101 18.953 6.771 -2.944 1.00 1.43 H new ATOM 0 HA VAL A 101 18.406 9.592 -3.609 1.00 1.90 H new ATOM 0 HB VAL A 101 21.098 8.188 -3.702 1.00 2.20 H new ATOM 0 HG11 VAL A 101 21.964 10.486 -3.766 1.00 2.67 H new ATOM 0 HG12 VAL A 101 20.876 10.153 -5.134 1.00 2.67 H new ATOM 0 HG13 VAL A 101 20.298 11.112 -3.751 1.00 2.67 H new ATOM 0 HG21 VAL A 101 21.625 9.345 -1.599 1.00 2.22 H new ATOM 0 HG22 VAL A 101 19.946 9.926 -1.501 1.00 2.22 H new ATOM 0 HG23 VAL A 101 20.291 8.184 -1.396 1.00 2.22 H new ATOM 1578 N GLU A 102 18.890 6.983 -5.475 1.00 1.99 N ATOM 1579 CA GLU A 102 18.835 6.466 -6.830 1.00 2.40 C ATOM 1580 C GLU A 102 17.524 5.723 -7.088 1.00 2.00 C ATOM 1581 O GLU A 102 17.171 5.455 -8.237 1.00 2.49 O ATOM 1582 CB GLU A 102 20.022 5.539 -7.091 1.00 3.22 C ATOM 1583 CG GLU A 102 19.912 4.196 -6.385 1.00 3.87 C ATOM 1584 CD GLU A 102 21.260 3.647 -5.960 1.00 4.18 C ATOM 1585 OE1 GLU A 102 21.714 3.984 -4.847 1.00 4.58 O ATOM 1586 OE2 GLU A 102 21.861 2.879 -6.741 1.00 4.47 O ATOM 0 H GLU A 102 18.869 6.266 -4.749 1.00 1.99 H new ATOM 0 HA GLU A 102 18.885 7.313 -7.514 1.00 2.40 H new ATOM 0 HB2 GLU A 102 20.111 5.370 -8.164 1.00 3.22 H new ATOM 0 HB3 GLU A 102 20.938 6.035 -6.769 1.00 3.22 H new ATOM 0 HG2 GLU A 102 19.274 4.303 -5.507 1.00 3.87 H new ATOM 0 HG3 GLU A 102 19.425 3.480 -7.048 1.00 3.87 H new ATOM 1593 N ALA A 103 16.803 5.390 -6.018 1.00 1.84 N ATOM 1594 CA ALA A 103 15.536 4.679 -6.143 1.00 2.56 C ATOM 1595 C ALA A 103 14.500 5.227 -5.166 1.00 3.21 C ATOM 1596 O ALA A 103 14.267 6.453 -5.179 1.00 3.72 O ATOM 1597 CB ALA A 103 15.744 3.190 -5.915 1.00 3.26 C ATOM 1598 OXT ALA A 103 13.929 4.425 -4.397 1.00 3.79 O ATOM 0 H ALA A 103 17.076 5.602 -5.058 1.00 1.84 H new ATOM 0 HA ALA A 103 15.159 4.832 -7.154 1.00 2.56 H new ATOM 0 HB1 ALA A 103 14.791 2.671 -6.011 1.00 3.26 H new ATOM 0 HB2 ALA A 103 16.444 2.803 -6.655 1.00 3.26 H new ATOM 0 HB3 ALA A 103 16.146 3.028 -4.915 1.00 3.26 H new TER 1604 ALA A 103