USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 743 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.176 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0998 K(o=-0.1,f=-1.5) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= 1.08 F(o=-0.36,f=1.1) USER MOD Single : A 11 ASN : amide:sc= -0.746 K(o=-0.75,f=-2.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 20 CYS SG : rot 29:sc= 0.0869 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.5) USER MOD Single : A 39 MET CE :methyl -152:sc= -0.729 (180deg=-3.11!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.12 USER MOD Single : A 47 THR OG1 : rot -31:sc= 0.304 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.000401 USER MOD Single : A 56 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 57 CYS SG : rot 92:sc= -0.76 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.096 X(o=-0.096,f=-0.46) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot -76:sc= 0.232 USER MOD Single : A 79 THR OG1 : rot -39:sc= 0.583 USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0117) USER MOD Single : A 81 THR OG1 : rot -120:sc= -1.1 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 61:sc= 0.101 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.157 15.125 2.135 1.00 74.04 N ATOM 2 CA MET A 1 15.260 15.865 1.534 1.00 3.53 C ATOM 3 C MET A 1 16.580 15.525 2.220 1.00 52.33 C ATOM 4 O MET A 1 17.205 16.383 2.843 1.00 23.32 O ATOM 5 CB MET A 1 15.000 17.371 1.622 1.00 71.54 C ATOM 6 CG MET A 1 13.931 17.859 0.658 1.00 41.34 C ATOM 7 SD MET A 1 12.308 17.997 1.431 1.00 22.42 S ATOM 8 CE MET A 1 11.580 19.313 0.459 1.00 1.25 C ATOM 0 H1 MET A 1 13.300 15.715 2.131 1.00 74.04 H new ATOM 0 H2 MET A 1 13.982 14.258 1.589 1.00 74.04 H new ATOM 0 H3 MET A 1 14.400 14.874 3.115 1.00 74.04 H new ATOM 0 HA MET A 1 15.330 15.576 0.485 1.00 3.53 H new ATOM 0 HB2 MET A 1 14.702 17.621 2.640 1.00 71.54 H new ATOM 0 HB3 MET A 1 15.929 17.904 1.422 1.00 71.54 H new ATOM 0 HG2 MET A 1 14.223 18.831 0.260 1.00 41.34 H new ATOM 0 HG3 MET A 1 13.869 17.173 -0.187 1.00 41.34 H new ATOM 0 HE1 MET A 1 10.571 19.515 0.818 1.00 1.25 H new ATOM 0 HE2 MET A 1 12.186 20.214 0.555 1.00 1.25 H new ATOM 0 HE3 MET A 1 11.540 19.012 -0.588 1.00 1.25 H new ATOM 18 N SER A 2 16.997 14.269 2.100 1.00 30.13 N ATOM 19 CA SER A 2 18.240 13.815 2.712 1.00 23.21 C ATOM 20 C SER A 2 18.553 12.378 2.305 1.00 42.22 C ATOM 21 O SER A 2 18.343 11.443 3.076 1.00 2.21 O ATOM 22 CB SER A 2 18.150 13.917 4.236 1.00 65.20 C ATOM 23 OG SER A 2 19.345 13.464 4.849 1.00 45.43 O ATOM 0 H SER A 2 16.492 13.548 1.585 1.00 30.13 H new ATOM 0 HA SER A 2 19.046 14.458 2.359 1.00 23.21 H new ATOM 0 HB2 SER A 2 17.959 14.951 4.524 1.00 65.20 H new ATOM 0 HB3 SER A 2 17.307 13.326 4.594 1.00 65.20 H new ATOM 0 HG SER A 2 19.263 13.541 5.823 1.00 45.43 H new ATOM 29 N ASN A 3 19.057 12.212 1.086 1.00 20.22 N ATOM 30 CA ASN A 3 19.399 10.890 0.575 1.00 71.54 C ATOM 31 C ASN A 3 20.650 10.950 -0.296 1.00 43.01 C ATOM 32 O ASN A 3 20.575 10.829 -1.518 1.00 11.40 O ATOM 33 CB ASN A 3 18.232 10.314 -0.230 1.00 33.42 C ATOM 34 CG ASN A 3 18.469 8.874 -0.644 1.00 3.15 C ATOM 35 OD1 ASN A 3 19.422 8.236 -0.194 1.00 15.42 O ATOM 36 ND2 ASN A 3 17.602 8.355 -1.505 1.00 41.52 N ATOM 0 H ASN A 3 19.237 12.976 0.435 1.00 20.22 H new ATOM 0 HA ASN A 3 19.601 10.240 1.427 1.00 71.54 H new ATOM 0 HB2 ASN A 3 17.320 10.373 0.364 1.00 33.42 H new ATOM 0 HB3 ASN A 3 18.072 10.923 -1.120 1.00 33.42 H new ATOM 0 HD21 ASN A 3 17.711 7.391 -1.820 1.00 41.52 H new ATOM 0 HD22 ASN A 3 16.827 8.920 -1.852 1.00 41.52 H new ATOM 43 N ASN A 4 21.801 11.137 0.343 1.00 54.21 N ATOM 44 CA ASN A 4 23.069 11.214 -0.373 1.00 71.40 C ATOM 45 C ASN A 4 24.146 10.401 0.340 1.00 52.41 C ATOM 46 O ASN A 4 24.178 10.336 1.568 1.00 33.10 O ATOM 47 CB ASN A 4 23.517 12.671 -0.505 1.00 71.40 C ATOM 48 CG ASN A 4 22.778 13.405 -1.607 1.00 13.12 C ATOM 49 OD1 ASN A 4 22.793 12.988 -2.765 1.00 34.42 O ATOM 50 ND2 ASN A 4 22.126 14.506 -1.250 1.00 5.00 N ATOM 0 H ASN A 4 21.881 11.238 1.355 1.00 54.21 H new ATOM 0 HA ASN A 4 22.922 10.795 -1.369 1.00 71.40 H new ATOM 0 HB2 ASN A 4 23.355 13.185 0.442 1.00 71.40 H new ATOM 0 HB3 ASN A 4 24.588 12.702 -0.706 1.00 71.40 H new ATOM 0 HD21 ASN A 4 21.611 15.042 -1.948 1.00 5.00 H new ATOM 0 HD22 ASN A 4 22.141 14.815 -0.278 1.00 5.00 H new ATOM 57 N GLY A 5 25.028 9.784 -0.440 1.00 73.24 N ATOM 58 CA GLY A 5 26.094 8.984 0.134 1.00 43.55 C ATOM 59 C GLY A 5 25.890 7.499 -0.089 1.00 51.11 C ATOM 60 O GLY A 5 25.170 7.094 -1.001 1.00 1.21 O ATOM 0 H GLY A 5 25.023 9.824 -1.459 1.00 73.24 H new ATOM 0 HA2 GLY A 5 27.046 9.286 -0.302 1.00 43.55 H new ATOM 0 HA3 GLY A 5 26.157 9.182 1.204 1.00 43.55 H new ATOM 64 N GLY A 6 26.527 6.684 0.746 1.00 33.32 N ATOM 65 CA GLY A 6 26.400 5.244 0.618 1.00 34.22 C ATOM 66 C GLY A 6 27.238 4.686 -0.515 1.00 1.13 C ATOM 67 O GLY A 6 26.910 3.645 -1.083 1.00 44.22 O ATOM 0 H GLY A 6 27.129 6.995 1.509 1.00 33.32 H new ATOM 0 HA2 GLY A 6 26.699 4.772 1.554 1.00 34.22 H new ATOM 0 HA3 GLY A 6 25.354 4.988 0.452 1.00 34.22 H new ATOM 71 N GLU A 7 28.322 5.381 -0.844 1.00 43.34 N ATOM 72 CA GLU A 7 29.208 4.950 -1.919 1.00 62.32 C ATOM 73 C GLU A 7 30.492 4.346 -1.357 1.00 33.43 C ATOM 74 O GLU A 7 30.859 4.569 -0.203 1.00 62.11 O ATOM 75 CB GLU A 7 29.545 6.127 -2.836 1.00 51.14 C ATOM 76 CG GLU A 7 28.767 6.124 -4.141 1.00 54.14 C ATOM 77 CD GLU A 7 29.181 7.248 -5.071 1.00 5.23 C ATOM 78 OE1 GLU A 7 30.400 7.472 -5.225 1.00 61.22 O ATOM 79 OE2 GLU A 7 28.286 7.904 -5.644 1.00 4.22 O ATOM 0 H GLU A 7 28.608 6.244 -0.382 1.00 43.34 H new ATOM 0 HA GLU A 7 28.689 4.185 -2.497 1.00 62.32 H new ATOM 0 HB2 GLU A 7 29.345 7.058 -2.306 1.00 51.14 H new ATOM 0 HB3 GLU A 7 30.612 6.109 -3.059 1.00 51.14 H new ATOM 0 HG2 GLU A 7 28.914 5.168 -4.645 1.00 54.14 H new ATOM 0 HG3 GLU A 7 27.702 6.210 -3.925 1.00 54.14 H new ATOM 86 N PRO A 8 31.191 3.561 -2.190 1.00 75.13 N ATOM 87 CA PRO A 8 32.443 2.908 -1.799 1.00 44.01 C ATOM 88 C PRO A 8 33.585 3.903 -1.622 1.00 10.31 C ATOM 89 O PRO A 8 33.441 5.088 -1.926 1.00 24.54 O ATOM 90 CB PRO A 8 32.733 1.965 -2.970 1.00 12.32 C ATOM 91 CG PRO A 8 32.040 2.584 -4.134 1.00 74.25 C ATOM 92 CD PRO A 8 30.812 3.251 -3.579 1.00 72.11 C ATOM 0 HA PRO A 8 32.355 2.402 -0.838 1.00 44.01 H new ATOM 0 HB2 PRO A 8 33.804 1.874 -3.149 1.00 12.32 H new ATOM 0 HB3 PRO A 8 32.357 0.961 -2.773 1.00 12.32 H new ATOM 0 HG2 PRO A 8 32.685 3.307 -4.633 1.00 74.25 H new ATOM 0 HG3 PRO A 8 31.773 1.831 -4.875 1.00 74.25 H new ATOM 0 HD2 PRO A 8 30.557 4.152 -4.137 1.00 72.11 H new ATOM 0 HD3 PRO A 8 29.944 2.594 -3.622 1.00 72.11 H new ATOM 100 N SER A 9 34.719 3.415 -1.129 1.00 73.11 N ATOM 101 CA SER A 9 35.884 4.263 -0.908 1.00 63.14 C ATOM 102 C SER A 9 37.152 3.590 -1.427 1.00 54.11 C ATOM 103 O SER A 9 37.704 3.989 -2.451 1.00 62.34 O ATOM 104 CB SER A 9 36.035 4.581 0.580 1.00 2.53 C ATOM 105 OG SER A 9 35.323 5.757 0.925 1.00 43.31 O ATOM 0 H SER A 9 34.855 2.437 -0.875 1.00 73.11 H new ATOM 0 HA SER A 9 35.735 5.193 -1.457 1.00 63.14 H new ATOM 0 HB2 SER A 9 35.669 3.743 1.173 1.00 2.53 H new ATOM 0 HB3 SER A 9 37.090 4.706 0.823 1.00 2.53 H new ATOM 0 HG SER A 9 35.434 5.938 1.882 1.00 43.31 H new ATOM 111 N ASN A 10 37.606 2.567 -0.711 1.00 61.31 N ATOM 112 CA ASN A 10 38.809 1.838 -1.098 1.00 34.23 C ATOM 113 C ASN A 10 38.891 0.499 -0.370 1.00 54.14 C ATOM 114 O ASN A 10 39.564 0.377 0.652 1.00 62.13 O ATOM 115 CB ASN A 10 40.055 2.672 -0.796 1.00 1.12 C ATOM 116 CG ASN A 10 39.947 3.418 0.520 1.00 31.23 C ATOM 117 OD1 ASN A 10 40.104 4.735 0.468 1.00 31.00 O flip ATOM 118 ND2 ASN A 10 39.725 2.816 1.571 1.00 14.41 N flip ATOM 0 H ASN A 10 37.160 2.224 0.140 1.00 61.31 H new ATOM 0 HA ASN A 10 38.759 1.647 -2.170 1.00 34.23 H new ATOM 0 HB2 ASN A 10 40.928 2.020 -0.770 1.00 1.12 H new ATOM 0 HB3 ASN A 10 40.215 3.387 -1.603 1.00 1.12 H new ATOM 0 HD21 ASN A 10 39.611 1.802 1.564 1.00 14.41 H new ATOM 0 HD22 ASN A 10 39.655 3.331 2.449 1.00 14.41 H new ATOM 125 N ASN A 11 38.200 -0.502 -0.906 1.00 62.40 N ATOM 126 CA ASN A 11 38.195 -1.833 -0.308 1.00 52.33 C ATOM 127 C ASN A 11 38.474 -2.903 -1.360 1.00 13.44 C ATOM 128 O ASN A 11 37.585 -3.666 -1.734 1.00 71.22 O ATOM 129 CB ASN A 11 36.850 -2.105 0.368 1.00 12.04 C ATOM 130 CG ASN A 11 36.790 -1.552 1.779 1.00 21.13 C ATOM 131 OD1 ASN A 11 36.454 -0.386 1.987 1.00 23.12 O ATOM 132 ND2 ASN A 11 37.117 -2.389 2.757 1.00 72.20 N ATOM 0 H ASN A 11 37.637 -0.417 -1.752 1.00 62.40 H new ATOM 0 HA ASN A 11 38.985 -1.871 0.442 1.00 52.33 H new ATOM 0 HB2 ASN A 11 36.051 -1.662 -0.227 1.00 12.04 H new ATOM 0 HB3 ASN A 11 36.670 -3.180 0.394 1.00 12.04 H new ATOM 0 HD21 ASN A 11 37.096 -2.074 3.727 1.00 72.20 H new ATOM 0 HD22 ASN A 11 37.389 -3.347 2.538 1.00 72.20 H new ATOM 139 N GLY A 12 39.716 -2.952 -1.831 1.00 52.55 N ATOM 140 CA GLY A 12 40.090 -3.931 -2.834 1.00 62.25 C ATOM 141 C GLY A 12 40.896 -5.076 -2.254 1.00 63.31 C ATOM 142 O GLY A 12 40.990 -6.146 -2.855 1.00 3.31 O ATOM 0 H GLY A 12 40.470 -2.331 -1.536 1.00 52.55 H new ATOM 0 HA2 GLY A 12 39.190 -4.326 -3.305 1.00 62.25 H new ATOM 0 HA3 GLY A 12 40.670 -3.442 -3.616 1.00 62.25 H new ATOM 146 N GLY A 13 41.482 -4.852 -1.081 1.00 54.55 N ATOM 147 CA GLY A 13 42.278 -5.882 -0.440 1.00 52.53 C ATOM 148 C GLY A 13 41.472 -6.711 0.539 1.00 21.45 C ATOM 149 O GLY A 13 40.717 -7.597 0.138 1.00 4.43 O ATOM 0 H GLY A 13 41.419 -3.975 -0.564 1.00 54.55 H new ATOM 0 HA2 GLY A 13 42.702 -6.536 -1.202 1.00 52.53 H new ATOM 0 HA3 GLY A 13 43.114 -5.418 0.083 1.00 52.53 H new ATOM 153 N GLU A 14 41.634 -6.426 1.828 1.00 53.33 N ATOM 154 CA GLU A 14 40.917 -7.155 2.867 1.00 55.10 C ATOM 155 C GLU A 14 41.203 -6.562 4.244 1.00 71.42 C ATOM 156 O GLU A 14 40.299 -6.077 4.923 1.00 43.32 O ATOM 157 CB GLU A 14 41.307 -8.634 2.845 1.00 31.21 C ATOM 158 CG GLU A 14 40.203 -9.548 2.340 1.00 13.32 C ATOM 159 CD GLU A 14 39.802 -10.597 3.359 1.00 12.43 C ATOM 160 OE1 GLU A 14 40.449 -11.664 3.397 1.00 3.13 O ATOM 161 OE2 GLU A 14 38.841 -10.351 4.118 1.00 1.21 O ATOM 0 H GLU A 14 42.255 -5.696 2.177 1.00 53.33 H new ATOM 0 HA GLU A 14 39.849 -7.066 2.667 1.00 55.10 H new ATOM 0 HB2 GLU A 14 42.187 -8.759 2.215 1.00 31.21 H new ATOM 0 HB3 GLU A 14 41.589 -8.941 3.852 1.00 31.21 H new ATOM 0 HG2 GLU A 14 39.331 -8.948 2.079 1.00 13.32 H new ATOM 0 HG3 GLU A 14 40.535 -10.042 1.427 1.00 13.32 H new ATOM 168 N GLY A 15 42.468 -6.607 4.649 1.00 24.24 N ATOM 169 CA GLY A 15 42.852 -6.073 5.943 1.00 42.31 C ATOM 170 C GLY A 15 43.288 -7.155 6.911 1.00 13.42 C ATOM 171 O GLY A 15 42.669 -8.216 6.986 1.00 43.14 O ATOM 0 H GLY A 15 43.234 -7.004 4.105 1.00 24.24 H new ATOM 0 HA2 GLY A 15 43.665 -5.359 5.811 1.00 42.31 H new ATOM 0 HA3 GLY A 15 42.012 -5.525 6.370 1.00 42.31 H new ATOM 175 N ALA A 16 44.356 -6.886 7.654 1.00 25.22 N ATOM 176 CA ALA A 16 44.874 -7.845 8.623 1.00 51.14 C ATOM 177 C ALA A 16 46.042 -7.257 9.407 1.00 62.04 C ATOM 178 O ALA A 16 46.857 -6.515 8.860 1.00 41.14 O ATOM 179 CB ALA A 16 45.298 -9.127 7.921 1.00 2.23 C ATOM 0 H ALA A 16 44.880 -6.012 7.604 1.00 25.22 H new ATOM 0 HA ALA A 16 44.077 -8.077 9.330 1.00 51.14 H new ATOM 0 HB1 ALA A 16 45.683 -9.834 8.656 1.00 2.23 H new ATOM 0 HB2 ALA A 16 44.439 -9.564 7.412 1.00 2.23 H new ATOM 0 HB3 ALA A 16 46.076 -8.902 7.192 1.00 2.23 H new ATOM 185 N GLU A 17 46.116 -7.593 10.691 1.00 63.54 N ATOM 186 CA GLU A 17 47.185 -7.097 11.549 1.00 10.43 C ATOM 187 C GLU A 17 47.146 -7.776 12.915 1.00 15.43 C ATOM 188 O GLU A 17 46.222 -8.529 13.220 1.00 54.41 O ATOM 189 CB GLU A 17 47.070 -5.580 11.718 1.00 64.10 C ATOM 190 CG GLU A 17 48.407 -4.859 11.667 1.00 21.35 C ATOM 191 CD GLU A 17 48.732 -4.328 10.285 1.00 73.33 C ATOM 192 OE1 GLU A 17 47.814 -3.799 9.623 1.00 63.13 O ATOM 193 OE2 GLU A 17 49.902 -4.442 9.864 1.00 10.05 O ATOM 0 H GLU A 17 45.449 -8.206 11.159 1.00 63.54 H new ATOM 0 HA GLU A 17 48.137 -7.332 11.073 1.00 10.43 H new ATOM 0 HB2 GLU A 17 46.423 -5.184 10.936 1.00 64.10 H new ATOM 0 HB3 GLU A 17 46.587 -5.365 12.671 1.00 64.10 H new ATOM 0 HG2 GLU A 17 48.396 -4.032 12.377 1.00 21.35 H new ATOM 0 HG3 GLU A 17 49.196 -5.541 11.985 1.00 21.35 H new ATOM 200 N GLY A 18 48.157 -7.503 13.735 1.00 72.44 N ATOM 201 CA GLY A 18 48.220 -8.096 15.058 1.00 54.11 C ATOM 202 C GLY A 18 49.497 -7.741 15.792 1.00 4.11 C ATOM 203 O GLY A 18 50.539 -7.524 15.172 1.00 3.25 O ATOM 0 H GLY A 18 48.933 -6.882 13.506 1.00 72.44 H new ATOM 0 HA2 GLY A 18 47.363 -7.762 15.644 1.00 54.11 H new ATOM 0 HA3 GLY A 18 48.144 -9.180 14.971 1.00 54.11 H new ATOM 207 N THR A 19 49.419 -7.680 17.118 1.00 51.42 N ATOM 208 CA THR A 19 50.577 -7.346 17.937 1.00 11.53 C ATOM 209 C THR A 19 50.375 -7.790 19.381 1.00 22.14 C ATOM 210 O THR A 19 49.284 -8.215 19.763 1.00 10.45 O ATOM 211 CB THR A 19 50.864 -5.832 17.913 1.00 24.43 C ATOM 212 OG1 THR A 19 50.188 -5.223 16.808 1.00 45.21 O ATOM 213 CG2 THR A 19 52.359 -5.567 17.809 1.00 33.13 C ATOM 0 H THR A 19 48.565 -7.858 17.647 1.00 51.42 H new ATOM 0 HA THR A 19 51.429 -7.877 17.512 1.00 11.53 H new ATOM 0 HB THR A 19 50.498 -5.400 18.844 1.00 24.43 H new ATOM 0 HG1 THR A 19 50.374 -4.261 16.801 1.00 45.21 H new ATOM 0 HG21 THR A 19 52.538 -4.492 17.794 1.00 33.13 H new ATOM 0 HG22 THR A 19 52.867 -6.007 18.667 1.00 33.13 H new ATOM 0 HG23 THR A 19 52.744 -6.012 16.892 1.00 33.13 H new ATOM 221 N CYS A 20 51.432 -7.689 20.179 1.00 22.45 N ATOM 222 CA CYS A 20 51.371 -8.082 21.583 1.00 13.31 C ATOM 223 C CYS A 20 52.106 -7.075 22.462 1.00 53.33 C ATOM 224 O CYS A 20 53.217 -6.651 22.143 1.00 21.24 O ATOM 225 CB CYS A 20 51.971 -9.475 21.771 1.00 24.44 C ATOM 226 SG CYS A 20 53.700 -9.610 21.257 1.00 34.00 S ATOM 0 H CYS A 20 52.341 -7.338 19.878 1.00 22.45 H new ATOM 0 HA CYS A 20 50.323 -8.103 21.884 1.00 13.31 H new ATOM 0 HB2 CYS A 20 51.893 -9.754 22.822 1.00 24.44 H new ATOM 0 HB3 CYS A 20 51.378 -10.194 21.206 1.00 24.44 H new ATOM 0 HG CYS A 20 54.288 -8.460 21.406 1.00 34.00 H new ATOM 232 N LYS A 21 51.477 -6.694 23.569 1.00 43.45 N ATOM 233 CA LYS A 21 52.070 -5.736 24.494 1.00 1.24 C ATOM 234 C LYS A 21 52.480 -4.459 23.768 1.00 52.33 C ATOM 235 O LYS A 21 53.618 -4.328 23.319 1.00 1.33 O ATOM 236 CB LYS A 21 53.286 -6.352 25.189 1.00 22.41 C ATOM 237 CG LYS A 21 53.889 -5.463 26.263 1.00 62.23 C ATOM 238 CD LYS A 21 55.356 -5.175 25.989 1.00 31.02 C ATOM 239 CE LYS A 21 56.244 -6.320 26.450 1.00 23.32 C ATOM 240 NZ LYS A 21 57.678 -6.071 26.136 1.00 44.02 N ATOM 0 H LYS A 21 50.557 -7.034 23.847 1.00 43.45 H new ATOM 0 HA LYS A 21 51.320 -5.482 25.243 1.00 1.24 H new ATOM 0 HB2 LYS A 21 52.995 -7.302 25.637 1.00 22.41 H new ATOM 0 HB3 LYS A 21 54.048 -6.572 24.442 1.00 22.41 H new ATOM 0 HG2 LYS A 21 53.336 -4.525 26.313 1.00 62.23 H new ATOM 0 HG3 LYS A 21 53.787 -5.945 27.235 1.00 62.23 H new ATOM 0 HD2 LYS A 21 55.502 -5.007 24.922 1.00 31.02 H new ATOM 0 HD3 LYS A 21 55.649 -4.258 26.499 1.00 31.02 H new ATOM 0 HE2 LYS A 21 56.127 -6.461 27.525 1.00 23.32 H new ATOM 0 HE3 LYS A 21 55.923 -7.245 25.971 1.00 23.32 H new ATOM 0 HZ1 LYS A 21 58.250 -6.874 26.466 1.00 44.02 H new ATOM 0 HZ2 LYS A 21 57.795 -5.962 25.108 1.00 44.02 H new ATOM 0 HZ3 LYS A 21 57.992 -5.202 26.614 1.00 44.02 H new ATOM 254 N GLU A 22 51.545 -3.520 23.657 1.00 72.20 N ATOM 255 CA GLU A 22 51.811 -2.254 22.985 1.00 13.42 C ATOM 256 C GLU A 22 51.779 -1.094 23.977 1.00 22.42 C ATOM 257 O GLU A 22 52.819 -0.545 24.338 1.00 44.24 O ATOM 258 CB GLU A 22 50.787 -2.016 21.873 1.00 13.33 C ATOM 259 CG GLU A 22 50.861 -0.626 21.264 1.00 4.33 C ATOM 260 CD GLU A 22 50.776 -0.647 19.750 1.00 1.34 C ATOM 261 OE1 GLU A 22 49.999 -1.463 19.212 1.00 52.30 O ATOM 262 OE2 GLU A 22 51.486 0.152 19.104 1.00 22.35 O ATOM 0 H GLU A 22 50.598 -3.612 24.024 1.00 72.20 H new ATOM 0 HA GLU A 22 52.807 -2.308 22.546 1.00 13.42 H new ATOM 0 HB2 GLU A 22 50.938 -2.756 21.087 1.00 13.33 H new ATOM 0 HB3 GLU A 22 49.786 -2.175 22.273 1.00 13.33 H new ATOM 0 HG2 GLU A 22 50.050 -0.016 21.661 1.00 4.33 H new ATOM 0 HG3 GLU A 22 51.795 -0.151 21.565 1.00 4.33 H new ATOM 269 N GLU A 23 50.578 -0.729 24.413 1.00 13.13 N ATOM 270 CA GLU A 23 50.411 0.366 25.362 1.00 33.42 C ATOM 271 C GLU A 23 48.948 0.511 25.773 1.00 23.23 C ATOM 272 O GLU A 23 48.109 -0.323 25.431 1.00 11.04 O ATOM 273 CB GLU A 23 50.914 1.677 24.756 1.00 41.12 C ATOM 274 CG GLU A 23 51.952 2.384 25.611 1.00 1.20 C ATOM 275 CD GLU A 23 51.719 3.880 25.693 1.00 45.43 C ATOM 276 OE1 GLU A 23 51.629 4.526 24.628 1.00 15.31 O ATOM 277 OE2 GLU A 23 51.628 4.405 26.822 1.00 2.05 O ATOM 0 H GLU A 23 49.707 -1.175 24.125 1.00 13.13 H new ATOM 0 HA GLU A 23 50.999 0.136 26.250 1.00 33.42 H new ATOM 0 HB2 GLU A 23 51.342 1.473 23.774 1.00 41.12 H new ATOM 0 HB3 GLU A 23 50.067 2.345 24.602 1.00 41.12 H new ATOM 0 HG2 GLU A 23 51.938 1.962 26.616 1.00 1.20 H new ATOM 0 HG3 GLU A 23 52.944 2.197 25.201 1.00 1.20 H new ATOM 284 N THR A 24 48.650 1.576 26.510 1.00 12.25 N ATOM 285 CA THR A 24 47.291 1.831 26.970 1.00 14.03 C ATOM 286 C THR A 24 46.703 3.063 26.292 1.00 14.10 C ATOM 287 O THR A 24 47.416 4.022 25.999 1.00 62.34 O ATOM 288 CB THR A 24 47.242 2.027 28.497 1.00 14.23 C ATOM 289 OG1 THR A 24 45.928 2.432 28.897 1.00 34.14 O ATOM 290 CG2 THR A 24 48.256 3.070 28.942 1.00 62.21 C ATOM 0 H THR A 24 49.332 2.276 26.801 1.00 12.25 H new ATOM 0 HA THR A 24 46.698 0.956 26.704 1.00 14.03 H new ATOM 0 HB THR A 24 47.490 1.077 28.971 1.00 14.23 H new ATOM 0 HG1 THR A 24 45.905 2.553 29.869 1.00 34.14 H new ATOM 0 HG21 THR A 24 48.203 3.191 30.024 1.00 62.21 H new ATOM 0 HG22 THR A 24 49.258 2.746 28.662 1.00 62.21 H new ATOM 0 HG23 THR A 24 48.035 4.022 28.459 1.00 62.21 H new ATOM 298 N ALA A 25 45.397 3.031 26.046 1.00 11.02 N ATOM 299 CA ALA A 25 44.713 4.147 25.405 1.00 73.11 C ATOM 300 C ALA A 25 43.199 4.005 25.526 1.00 42.44 C ATOM 301 O ALA A 25 42.687 2.922 25.813 1.00 45.41 O ATOM 302 CB ALA A 25 45.120 4.246 23.942 1.00 25.33 C ATOM 0 H ALA A 25 44.792 2.244 26.281 1.00 11.02 H new ATOM 0 HA ALA A 25 45.008 5.064 25.916 1.00 73.11 H new ATOM 0 HB1 ALA A 25 44.601 5.084 23.476 1.00 25.33 H new ATOM 0 HB2 ALA A 25 46.197 4.402 23.874 1.00 25.33 H new ATOM 0 HB3 ALA A 25 44.854 3.323 23.427 1.00 25.33 H new ATOM 308 N LEU A 26 42.488 5.105 25.305 1.00 15.34 N ATOM 309 CA LEU A 26 41.031 5.104 25.390 1.00 2.02 C ATOM 310 C LEU A 26 40.411 5.658 24.112 1.00 52.52 C ATOM 311 O LEU A 26 40.760 6.750 23.663 1.00 52.33 O ATOM 312 CB LEU A 26 40.570 5.928 26.594 1.00 40.25 C ATOM 313 CG LEU A 26 40.153 5.133 27.831 1.00 2.35 C ATOM 314 CD1 LEU A 26 41.175 5.304 28.945 1.00 42.24 C ATOM 315 CD2 LEU A 26 38.772 5.565 28.302 1.00 30.23 C ATOM 0 H LEU A 26 42.896 6.009 25.066 1.00 15.34 H new ATOM 0 HA LEU A 26 40.699 4.073 25.515 1.00 2.02 H new ATOM 0 HB2 LEU A 26 41.377 6.604 26.876 1.00 40.25 H new ATOM 0 HB3 LEU A 26 39.728 6.548 26.284 1.00 40.25 H new ATOM 0 HG LEU A 26 40.110 4.077 27.563 1.00 2.35 H new ATOM 0 HD11 LEU A 26 40.861 4.731 29.818 1.00 42.24 H new ATOM 0 HD12 LEU A 26 42.147 4.945 28.605 1.00 42.24 H new ATOM 0 HD13 LEU A 26 41.250 6.358 29.211 1.00 42.24 H new ATOM 0 HD21 LEU A 26 38.491 4.989 29.183 1.00 30.23 H new ATOM 0 HD22 LEU A 26 38.788 6.626 28.552 1.00 30.23 H new ATOM 0 HD23 LEU A 26 38.046 5.391 27.508 1.00 30.23 H new ATOM 327 N VAL A 27 39.487 4.899 23.531 1.00 50.41 N ATOM 328 CA VAL A 27 38.815 5.316 22.306 1.00 51.11 C ATOM 329 C VAL A 27 37.311 5.083 22.398 1.00 61.25 C ATOM 330 O VAL A 27 36.863 4.017 22.819 1.00 55.13 O ATOM 331 CB VAL A 27 39.366 4.564 21.080 1.00 42.32 C ATOM 332 CG1 VAL A 27 38.282 4.391 20.027 1.00 13.33 C ATOM 333 CG2 VAL A 27 40.569 5.296 20.503 1.00 55.31 C ATOM 0 H VAL A 27 39.187 3.992 23.889 1.00 50.41 H new ATOM 0 HA VAL A 27 39.008 6.382 22.186 1.00 51.11 H new ATOM 0 HB VAL A 27 39.690 3.573 21.399 1.00 42.32 H new ATOM 0 HG11 VAL A 27 38.690 3.858 19.169 1.00 13.33 H new ATOM 0 HG12 VAL A 27 37.454 3.821 20.448 1.00 13.33 H new ATOM 0 HG13 VAL A 27 37.924 5.370 19.709 1.00 13.33 H new ATOM 0 HG21 VAL A 27 40.946 4.751 19.637 1.00 55.31 H new ATOM 0 HG22 VAL A 27 40.273 6.300 20.199 1.00 55.31 H new ATOM 0 HG23 VAL A 27 41.352 5.362 21.259 1.00 55.31 H new ATOM 343 N ALA A 28 36.537 6.087 22.000 1.00 72.14 N ATOM 344 CA ALA A 28 35.083 5.991 22.034 1.00 32.52 C ATOM 345 C ALA A 28 34.538 5.442 20.720 1.00 55.21 C ATOM 346 O ALA A 28 34.972 5.843 19.640 1.00 5.12 O ATOM 347 CB ALA A 28 34.471 7.351 22.335 1.00 33.54 C ATOM 0 H ALA A 28 36.893 6.977 21.650 1.00 72.14 H new ATOM 0 HA ALA A 28 34.808 5.298 22.829 1.00 32.52 H new ATOM 0 HB1 ALA A 28 33.385 7.264 22.357 1.00 33.54 H new ATOM 0 HB2 ALA A 28 34.827 7.704 23.303 1.00 33.54 H new ATOM 0 HB3 ALA A 28 34.762 8.061 21.561 1.00 33.54 H new ATOM 353 N VAL A 29 33.583 4.522 20.818 1.00 12.53 N ATOM 354 CA VAL A 29 32.978 3.919 19.637 1.00 53.21 C ATOM 355 C VAL A 29 31.480 4.201 19.582 1.00 64.31 C ATOM 356 O VAL A 29 30.797 4.188 20.606 1.00 74.53 O ATOM 357 CB VAL A 29 33.204 2.396 19.606 1.00 1.01 C ATOM 358 CG1 VAL A 29 32.507 1.777 18.405 1.00 73.44 C ATOM 359 CG2 VAL A 29 34.692 2.079 19.591 1.00 11.12 C ATOM 0 H VAL A 29 33.212 4.178 21.704 1.00 12.53 H new ATOM 0 HA VAL A 29 33.461 4.368 18.769 1.00 53.21 H new ATOM 0 HB VAL A 29 32.772 1.964 20.509 1.00 1.01 H new ATOM 0 HG11 VAL A 29 32.678 0.701 18.400 1.00 73.44 H new ATOM 0 HG12 VAL A 29 31.437 1.974 18.464 1.00 73.44 H new ATOM 0 HG13 VAL A 29 32.906 2.212 17.489 1.00 73.44 H new ATOM 0 HG21 VAL A 29 34.834 0.998 19.569 1.00 11.12 H new ATOM 0 HG22 VAL A 29 35.150 2.523 18.707 1.00 11.12 H new ATOM 0 HG23 VAL A 29 35.160 2.488 20.486 1.00 11.12 H new ATOM 369 N LYS A 30 30.976 4.455 18.379 1.00 34.14 N ATOM 370 CA LYS A 30 29.558 4.738 18.188 1.00 2.24 C ATOM 371 C LYS A 30 28.959 3.824 17.124 1.00 22.25 C ATOM 372 O LYS A 30 29.235 3.976 15.934 1.00 31.23 O ATOM 373 CB LYS A 30 29.359 6.202 17.789 1.00 72.00 C ATOM 374 CG LYS A 30 27.903 6.583 17.581 1.00 62.24 C ATOM 375 CD LYS A 30 27.655 8.043 17.918 1.00 1.35 C ATOM 376 CE LYS A 30 27.918 8.945 16.722 1.00 74.42 C ATOM 377 NZ LYS A 30 28.405 10.289 17.136 1.00 13.35 N ATOM 0 H LYS A 30 31.528 4.471 17.522 1.00 34.14 H new ATOM 0 HA LYS A 30 29.045 4.552 19.132 1.00 2.24 H new ATOM 0 HB2 LYS A 30 29.787 6.842 18.561 1.00 72.00 H new ATOM 0 HB3 LYS A 30 29.912 6.398 16.870 1.00 72.00 H new ATOM 0 HG2 LYS A 30 27.621 6.395 16.545 1.00 62.24 H new ATOM 0 HG3 LYS A 30 27.268 5.952 18.203 1.00 62.24 H new ATOM 0 HD2 LYS A 30 26.625 8.170 18.251 1.00 1.35 H new ATOM 0 HD3 LYS A 30 28.297 8.340 18.747 1.00 1.35 H new ATOM 0 HE2 LYS A 30 28.655 8.477 16.070 1.00 74.42 H new ATOM 0 HE3 LYS A 30 27.002 9.054 16.141 1.00 74.42 H new ATOM 0 HZ1 LYS A 30 28.572 10.873 16.292 1.00 13.35 H new ATOM 0 HZ2 LYS A 30 27.691 10.747 17.738 1.00 13.35 H new ATOM 0 HZ3 LYS A 30 29.293 10.188 17.668 1.00 13.35 H new ATOM 391 N VAL A 31 28.137 2.875 17.561 1.00 60.22 N ATOM 392 CA VAL A 31 27.497 1.938 16.646 1.00 71.35 C ATOM 393 C VAL A 31 26.093 2.402 16.277 1.00 54.34 C ATOM 394 O VAL A 31 25.219 2.518 17.136 1.00 2.25 O ATOM 395 CB VAL A 31 27.415 0.525 17.255 1.00 50.43 C ATOM 396 CG1 VAL A 31 26.917 -0.474 16.222 1.00 43.14 C ATOM 397 CG2 VAL A 31 28.768 0.104 17.807 1.00 45.50 C ATOM 0 H VAL A 31 27.899 2.735 18.543 1.00 60.22 H new ATOM 0 HA VAL A 31 28.113 1.903 15.747 1.00 71.35 H new ATOM 0 HB VAL A 31 26.702 0.544 18.079 1.00 50.43 H new ATOM 0 HG11 VAL A 31 26.866 -1.466 16.671 1.00 43.14 H new ATOM 0 HG12 VAL A 31 25.925 -0.179 15.879 1.00 43.14 H new ATOM 0 HG13 VAL A 31 27.603 -0.494 15.375 1.00 43.14 H new ATOM 0 HG21 VAL A 31 28.692 -0.896 18.233 1.00 45.50 H new ATOM 0 HG22 VAL A 31 29.504 0.101 17.003 1.00 45.50 H new ATOM 0 HG23 VAL A 31 29.079 0.805 18.581 1.00 45.50 H new ATOM 407 N VAL A 32 25.881 2.667 14.991 1.00 4.21 N ATOM 408 CA VAL A 32 24.582 3.118 14.507 1.00 62.02 C ATOM 409 C VAL A 32 23.930 2.063 13.620 1.00 42.33 C ATOM 410 O VAL A 32 24.602 1.173 13.101 1.00 71.11 O ATOM 411 CB VAL A 32 24.704 4.434 13.716 1.00 13.22 C ATOM 412 CG1 VAL A 32 24.939 5.604 14.659 1.00 14.15 C ATOM 413 CG2 VAL A 32 25.820 4.336 12.687 1.00 33.02 C ATOM 0 H VAL A 32 26.593 2.577 14.266 1.00 4.21 H new ATOM 0 HA VAL A 32 23.958 3.287 15.385 1.00 62.02 H new ATOM 0 HB VAL A 32 23.767 4.607 13.187 1.00 13.22 H new ATOM 0 HG11 VAL A 32 25.023 6.525 14.082 1.00 14.15 H new ATOM 0 HG12 VAL A 32 24.103 5.685 15.353 1.00 14.15 H new ATOM 0 HG13 VAL A 32 25.860 5.441 15.218 1.00 14.15 H new ATOM 0 HG21 VAL A 32 25.892 5.275 12.138 1.00 33.02 H new ATOM 0 HG22 VAL A 32 26.765 4.139 13.193 1.00 33.02 H new ATOM 0 HG23 VAL A 32 25.604 3.524 11.992 1.00 33.02 H new ATOM 423 N ASN A 33 22.616 2.171 13.450 1.00 44.03 N ATOM 424 CA ASN A 33 21.873 1.226 12.625 1.00 55.02 C ATOM 425 C ASN A 33 20.926 1.958 11.678 1.00 1.01 C ATOM 426 O ASN A 33 20.480 3.068 11.966 1.00 35.11 O ATOM 427 CB ASN A 33 21.081 0.259 13.508 1.00 64.13 C ATOM 428 CG ASN A 33 21.980 -0.705 14.259 1.00 53.03 C ATOM 429 OD1 ASN A 33 23.170 -0.816 13.967 1.00 65.50 O ATOM 430 ND2 ASN A 33 21.411 -1.407 15.232 1.00 61.43 N ATOM 0 H ASN A 33 22.045 2.903 13.872 1.00 44.03 H new ATOM 0 HA ASN A 33 22.590 0.661 12.029 1.00 55.02 H new ATOM 0 HB2 ASN A 33 20.485 0.828 14.222 1.00 64.13 H new ATOM 0 HB3 ASN A 33 20.383 -0.306 12.889 1.00 64.13 H new ATOM 0 HD21 ASN A 33 21.965 -2.071 15.772 1.00 61.43 H new ATOM 0 HD22 ASN A 33 20.420 -1.282 15.439 1.00 61.43 H new ATOM 437 N ALA A 34 20.624 1.328 10.548 1.00 65.24 N ATOM 438 CA ALA A 34 19.729 1.917 9.560 1.00 44.33 C ATOM 439 C ALA A 34 18.334 2.127 10.139 1.00 63.33 C ATOM 440 O ALA A 34 17.576 2.974 9.666 1.00 5.22 O ATOM 441 CB ALA A 34 19.662 1.040 8.319 1.00 74.24 C ATOM 0 H ALA A 34 20.986 0.409 10.294 1.00 65.24 H new ATOM 0 HA ALA A 34 20.128 2.892 9.280 1.00 44.33 H new ATOM 0 HB1 ALA A 34 18.990 1.492 7.590 1.00 74.24 H new ATOM 0 HB2 ALA A 34 20.658 0.946 7.886 1.00 74.24 H new ATOM 0 HB3 ALA A 34 19.290 0.052 8.591 1.00 74.24 H new ATOM 447 N ASP A 35 18.001 1.349 11.163 1.00 3.31 N ATOM 448 CA ASP A 35 16.697 1.450 11.807 1.00 33.00 C ATOM 449 C ASP A 35 16.636 2.667 12.724 1.00 11.52 C ATOM 450 O ASP A 35 15.560 3.199 12.997 1.00 44.15 O ATOM 451 CB ASP A 35 16.399 0.180 12.605 1.00 74.42 C ATOM 452 CG ASP A 35 17.135 0.141 13.929 1.00 1.54 C ATOM 453 OD1 ASP A 35 16.634 0.740 14.904 1.00 72.31 O ATOM 454 OD2 ASP A 35 18.213 -0.486 13.991 1.00 5.22 O ATOM 0 H ASP A 35 18.616 0.642 11.565 1.00 3.31 H new ATOM 0 HA ASP A 35 15.943 1.566 11.028 1.00 33.00 H new ATOM 0 HB2 ASP A 35 15.326 0.112 12.787 1.00 74.42 H new ATOM 0 HB3 ASP A 35 16.677 -0.691 12.012 1.00 74.42 H new ATOM 459 N GLY A 36 17.799 3.104 13.199 1.00 70.53 N ATOM 460 CA GLY A 36 17.856 4.254 14.081 1.00 14.22 C ATOM 461 C GLY A 36 18.549 3.945 15.393 1.00 2.11 C ATOM 462 O GLY A 36 19.345 4.744 15.886 1.00 52.45 O ATOM 0 H GLY A 36 18.703 2.681 12.988 1.00 70.53 H new ATOM 0 HA2 GLY A 36 18.381 5.067 13.579 1.00 14.22 H new ATOM 0 HA3 GLY A 36 16.844 4.604 14.282 1.00 14.22 H new ATOM 466 N ALA A 37 18.246 2.783 15.961 1.00 30.35 N ATOM 467 CA ALA A 37 18.846 2.370 17.224 1.00 3.10 C ATOM 468 C ALA A 37 20.366 2.478 17.170 1.00 5.13 C ATOM 469 O ALA A 37 21.012 1.856 16.327 1.00 0.14 O ATOM 470 CB ALA A 37 18.428 0.948 17.567 1.00 1.14 C ATOM 0 H ALA A 37 17.588 2.110 15.567 1.00 30.35 H new ATOM 0 HA ALA A 37 18.487 3.041 18.005 1.00 3.10 H new ATOM 0 HB1 ALA A 37 18.883 0.653 18.512 1.00 1.14 H new ATOM 0 HB2 ALA A 37 17.343 0.899 17.656 1.00 1.14 H new ATOM 0 HB3 ALA A 37 18.758 0.272 16.779 1.00 1.14 H new ATOM 476 N GLU A 38 20.931 3.272 18.075 1.00 62.12 N ATOM 477 CA GLU A 38 22.376 3.462 18.128 1.00 70.40 C ATOM 478 C GLU A 38 22.856 3.585 19.571 1.00 32.44 C ATOM 479 O GLU A 38 22.097 3.977 20.457 1.00 2.13 O ATOM 480 CB GLU A 38 22.778 4.708 17.337 1.00 4.23 C ATOM 481 CG GLU A 38 22.102 5.980 17.820 1.00 11.12 C ATOM 482 CD GLU A 38 21.324 6.680 16.723 1.00 74.31 C ATOM 483 OE1 GLU A 38 21.783 6.655 15.562 1.00 65.21 O ATOM 484 OE2 GLU A 38 20.256 7.252 17.025 1.00 54.15 O ATOM 0 H GLU A 38 20.411 3.793 18.781 1.00 62.12 H new ATOM 0 HA GLU A 38 22.848 2.588 17.680 1.00 70.40 H new ATOM 0 HB2 GLU A 38 23.859 4.835 17.400 1.00 4.23 H new ATOM 0 HB3 GLU A 38 22.535 4.554 16.285 1.00 4.23 H new ATOM 0 HG2 GLU A 38 21.427 5.739 18.642 1.00 11.12 H new ATOM 0 HG3 GLU A 38 22.856 6.660 18.216 1.00 11.12 H new ATOM 491 N MET A 39 24.120 3.245 19.799 1.00 5.42 N ATOM 492 CA MET A 39 24.702 3.318 21.134 1.00 1.35 C ATOM 493 C MET A 39 26.221 3.436 21.060 1.00 21.01 C ATOM 494 O MET A 39 26.867 2.764 20.256 1.00 21.51 O ATOM 495 CB MET A 39 24.314 2.084 21.951 1.00 11.32 C ATOM 496 CG MET A 39 24.589 0.771 21.236 1.00 4.25 C ATOM 497 SD MET A 39 23.172 0.186 20.289 1.00 74.52 S ATOM 498 CE MET A 39 23.898 -1.197 19.412 1.00 43.22 C ATOM 0 H MET A 39 24.761 2.916 19.077 1.00 5.42 H new ATOM 0 HA MET A 39 24.310 4.208 21.625 1.00 1.35 H new ATOM 0 HB2 MET A 39 24.860 2.096 22.894 1.00 11.32 H new ATOM 0 HB3 MET A 39 23.253 2.140 22.196 1.00 11.32 H new ATOM 0 HG2 MET A 39 25.441 0.897 20.568 1.00 4.25 H new ATOM 0 HG3 MET A 39 24.869 0.014 21.969 1.00 4.25 H new ATOM 0 HE1 MET A 39 23.369 -1.349 18.471 1.00 43.22 H new ATOM 0 HE2 MET A 39 24.948 -0.988 19.209 1.00 43.22 H new ATOM 0 HE3 MET A 39 23.819 -2.097 20.022 1.00 43.22 H new ATOM 508 N PHE A 40 26.786 4.295 21.903 1.00 74.51 N ATOM 509 CA PHE A 40 28.229 4.501 21.931 1.00 31.03 C ATOM 510 C PHE A 40 28.771 4.360 23.351 1.00 73.52 C ATOM 511 O PHE A 40 28.041 4.537 24.326 1.00 1.44 O ATOM 512 CB PHE A 40 28.579 5.883 21.375 1.00 31.31 C ATOM 513 CG PHE A 40 27.926 7.012 22.120 1.00 22.23 C ATOM 514 CD1 PHE A 40 26.614 7.368 21.854 1.00 50.10 C ATOM 515 CD2 PHE A 40 28.625 7.716 23.087 1.00 13.45 C ATOM 516 CE1 PHE A 40 26.011 8.407 22.538 1.00 45.12 C ATOM 517 CE2 PHE A 40 28.027 8.756 23.775 1.00 43.22 C ATOM 518 CZ PHE A 40 26.718 9.101 23.500 1.00 5.22 C ATOM 0 H PHE A 40 26.266 4.859 22.575 1.00 74.51 H new ATOM 0 HA PHE A 40 28.692 3.737 21.306 1.00 31.03 H new ATOM 0 HB2 PHE A 40 29.661 6.015 21.406 1.00 31.31 H new ATOM 0 HB3 PHE A 40 28.282 5.930 20.327 1.00 31.31 H new ATOM 0 HD1 PHE A 40 26.056 6.828 21.104 1.00 50.10 H new ATOM 0 HD2 PHE A 40 29.648 7.450 23.306 1.00 13.45 H new ATOM 0 HE1 PHE A 40 24.988 8.676 22.320 1.00 45.12 H new ATOM 0 HE2 PHE A 40 28.583 9.298 24.526 1.00 43.22 H new ATOM 0 HZ PHE A 40 26.248 9.912 24.036 1.00 5.22 H new ATOM 528 N PHE A 41 30.056 4.038 23.458 1.00 74.31 N ATOM 529 CA PHE A 41 30.696 3.870 24.757 1.00 0.43 C ATOM 530 C PHE A 41 32.211 4.007 24.638 1.00 1.35 C ATOM 531 O PHE A 41 32.787 3.749 23.582 1.00 44.14 O ATOM 532 CB PHE A 41 30.341 2.506 25.353 1.00 50.43 C ATOM 533 CG PHE A 41 29.071 2.515 26.155 1.00 24.23 C ATOM 534 CD1 PHE A 41 28.906 3.403 27.206 1.00 23.41 C ATOM 535 CD2 PHE A 41 28.043 1.634 25.859 1.00 2.41 C ATOM 536 CE1 PHE A 41 27.739 3.413 27.946 1.00 1.24 C ATOM 537 CE2 PHE A 41 26.874 1.641 26.596 1.00 72.35 C ATOM 538 CZ PHE A 41 26.722 2.530 27.641 1.00 11.32 C ATOM 0 H PHE A 41 30.674 3.888 22.661 1.00 74.31 H new ATOM 0 HA PHE A 41 30.328 4.654 25.419 1.00 0.43 H new ATOM 0 HB2 PHE A 41 30.247 1.779 24.546 1.00 50.43 H new ATOM 0 HB3 PHE A 41 31.161 2.172 25.989 1.00 50.43 H new ATOM 0 HD1 PHE A 41 29.698 4.095 27.450 1.00 23.41 H new ATOM 0 HD2 PHE A 41 28.157 0.935 25.044 1.00 2.41 H new ATOM 0 HE1 PHE A 41 27.622 4.111 28.762 1.00 1.24 H new ATOM 0 HE2 PHE A 41 26.079 0.951 26.354 1.00 72.35 H new ATOM 0 HZ PHE A 41 25.810 2.535 28.219 1.00 11.32 H new ATOM 548 N ARG A 42 32.850 4.416 25.730 1.00 33.31 N ATOM 549 CA ARG A 42 34.297 4.589 25.749 1.00 62.04 C ATOM 550 C ARG A 42 34.993 3.307 26.197 1.00 75.33 C ATOM 551 O ARG A 42 34.780 2.832 27.313 1.00 65.42 O ATOM 552 CB ARG A 42 34.682 5.742 26.677 1.00 23.14 C ATOM 553 CG ARG A 42 35.751 6.657 26.102 1.00 72.13 C ATOM 554 CD ARG A 42 35.891 7.932 26.918 1.00 54.54 C ATOM 555 NE ARG A 42 37.038 8.730 26.494 1.00 41.32 N ATOM 556 CZ ARG A 42 37.509 9.764 27.182 1.00 13.31 C ATOM 557 NH1 ARG A 42 36.934 10.123 28.322 1.00 54.55 N ATOM 558 NH2 ARG A 42 38.557 10.441 26.731 1.00 2.22 N ATOM 0 H ARG A 42 32.388 4.634 26.613 1.00 33.31 H new ATOM 0 HA ARG A 42 34.623 4.823 24.735 1.00 62.04 H new ATOM 0 HB2 ARG A 42 33.792 6.331 26.898 1.00 23.14 H new ATOM 0 HB3 ARG A 42 35.037 5.333 27.623 1.00 23.14 H new ATOM 0 HG2 ARG A 42 36.706 6.132 26.078 1.00 72.13 H new ATOM 0 HG3 ARG A 42 35.500 6.909 25.072 1.00 72.13 H new ATOM 0 HD2 ARG A 42 34.982 8.525 26.822 1.00 54.54 H new ATOM 0 HD3 ARG A 42 35.996 7.678 27.973 1.00 54.54 H new ATOM 0 HE ARG A 42 37.503 8.480 25.621 1.00 41.32 H new ATOM 0 HH11 ARG A 42 36.128 9.605 28.672 1.00 54.55 H new ATOM 0 HH12 ARG A 42 37.298 10.917 28.849 1.00 54.55 H new ATOM 0 HH21 ARG A 42 39.002 10.168 25.855 1.00 2.22 H new ATOM 0 HH22 ARG A 42 38.918 11.235 27.260 1.00 2.22 H new ATOM 572 N ILE A 43 35.822 2.752 25.319 1.00 1.24 N ATOM 573 CA ILE A 43 36.548 1.526 25.625 1.00 24.01 C ATOM 574 C ILE A 43 37.970 1.578 25.076 1.00 70.53 C ATOM 575 O ILE A 43 38.244 2.269 24.094 1.00 33.42 O ATOM 576 CB ILE A 43 35.833 0.289 25.050 1.00 15.44 C ATOM 577 CG1 ILE A 43 34.338 0.342 25.375 1.00 61.35 C ATOM 578 CG2 ILE A 43 36.455 -0.986 25.599 1.00 12.34 C ATOM 579 CD1 ILE A 43 33.514 1.040 24.315 1.00 22.23 C ATOM 0 H ILE A 43 36.007 3.132 24.391 1.00 1.24 H new ATOM 0 HA ILE A 43 36.583 1.443 26.711 1.00 24.01 H new ATOM 0 HB ILE A 43 35.951 0.289 23.966 1.00 15.44 H new ATOM 0 HG12 ILE A 43 33.966 -0.675 25.502 1.00 61.35 H new ATOM 0 HG13 ILE A 43 34.199 0.854 26.327 1.00 61.35 H new ATOM 0 HG21 ILE A 43 35.939 -1.851 25.183 1.00 12.34 H new ATOM 0 HG22 ILE A 43 37.509 -1.025 25.323 1.00 12.34 H new ATOM 0 HG23 ILE A 43 36.364 -0.997 26.685 1.00 12.34 H new ATOM 0 HD11 ILE A 43 32.465 1.040 24.611 1.00 22.23 H new ATOM 0 HD12 ILE A 43 33.860 2.068 24.203 1.00 22.23 H new ATOM 0 HD13 ILE A 43 33.623 0.515 23.366 1.00 22.23 H new ATOM 591 N LYS A 44 38.872 0.840 25.714 1.00 2.22 N ATOM 592 CA LYS A 44 40.266 0.798 25.289 1.00 43.11 C ATOM 593 C LYS A 44 40.372 0.476 23.802 1.00 51.13 C ATOM 594 O LYS A 44 39.695 -0.422 23.302 1.00 61.51 O ATOM 595 CB LYS A 44 41.038 -0.243 26.103 1.00 1.11 C ATOM 596 CG LYS A 44 41.729 0.333 27.327 1.00 65.32 C ATOM 597 CD LYS A 44 43.236 0.145 27.256 1.00 34.44 C ATOM 598 CE LYS A 44 43.681 -1.086 28.032 1.00 54.12 C ATOM 599 NZ LYS A 44 44.541 -1.979 27.208 1.00 24.30 N ATOM 0 H LYS A 44 38.662 0.262 26.528 1.00 2.22 H new ATOM 0 HA LYS A 44 40.702 1.782 25.462 1.00 43.11 H new ATOM 0 HB2 LYS A 44 40.350 -1.027 26.420 1.00 1.11 H new ATOM 0 HB3 LYS A 44 41.784 -0.713 25.462 1.00 1.11 H new ATOM 0 HG2 LYS A 44 41.497 1.395 27.411 1.00 65.32 H new ATOM 0 HG3 LYS A 44 41.343 -0.150 28.225 1.00 65.32 H new ATOM 0 HD2 LYS A 44 43.543 0.051 26.214 1.00 34.44 H new ATOM 0 HD3 LYS A 44 43.733 1.028 27.656 1.00 34.44 H new ATOM 0 HE2 LYS A 44 44.227 -0.776 28.923 1.00 54.12 H new ATOM 0 HE3 LYS A 44 42.805 -1.638 28.372 1.00 54.12 H new ATOM 0 HZ1 LYS A 44 44.823 -2.806 27.772 1.00 24.30 H new ATOM 0 HZ2 LYS A 44 44.011 -2.295 26.371 1.00 24.30 H new ATOM 0 HZ3 LYS A 44 45.390 -1.460 26.905 1.00 24.30 H new ATOM 613 N SER A 45 41.226 1.214 23.100 1.00 10.42 N ATOM 614 CA SER A 45 41.418 1.009 21.669 1.00 23.44 C ATOM 615 C SER A 45 41.825 -0.433 21.378 1.00 41.42 C ATOM 616 O SER A 45 41.439 -1.004 20.358 1.00 14.00 O ATOM 617 CB SER A 45 42.481 1.969 21.133 1.00 45.11 C ATOM 618 OG SER A 45 42.580 3.126 21.945 1.00 54.31 O ATOM 0 H SER A 45 41.796 1.960 23.499 1.00 10.42 H new ATOM 0 HA SER A 45 40.472 1.210 21.167 1.00 23.44 H new ATOM 0 HB2 SER A 45 43.446 1.464 21.096 1.00 45.11 H new ATOM 0 HB3 SER A 45 42.233 2.258 20.112 1.00 45.11 H new ATOM 0 HG SER A 45 43.267 3.723 21.582 1.00 54.31 H new ATOM 624 N ARG A 46 42.608 -1.014 22.281 1.00 73.22 N ATOM 625 CA ARG A 46 43.069 -2.388 22.121 1.00 74.10 C ATOM 626 C ARG A 46 41.897 -3.325 21.842 1.00 24.50 C ATOM 627 O ARG A 46 42.048 -4.339 21.159 1.00 31.55 O ATOM 628 CB ARG A 46 43.816 -2.847 23.375 1.00 53.04 C ATOM 629 CG ARG A 46 45.240 -3.303 23.102 1.00 11.22 C ATOM 630 CD ARG A 46 45.282 -4.400 22.050 1.00 20.35 C ATOM 631 NE ARG A 46 46.600 -5.023 21.961 1.00 2.34 N ATOM 632 CZ ARG A 46 47.061 -5.898 22.848 1.00 1.33 C ATOM 633 NH1 ARG A 46 46.314 -6.252 23.885 1.00 44.20 N ATOM 634 NH2 ARG A 46 48.271 -6.421 22.699 1.00 44.23 N ATOM 0 H ARG A 46 42.936 -0.555 23.131 1.00 73.22 H new ATOM 0 HA ARG A 46 43.749 -2.420 21.269 1.00 74.10 H new ATOM 0 HB2 ARG A 46 43.837 -2.029 24.095 1.00 53.04 H new ATOM 0 HB3 ARG A 46 43.264 -3.665 23.838 1.00 53.04 H new ATOM 0 HG2 ARG A 46 45.837 -2.454 22.768 1.00 11.22 H new ATOM 0 HG3 ARG A 46 45.690 -3.666 24.026 1.00 11.22 H new ATOM 0 HD2 ARG A 46 44.537 -5.160 22.288 1.00 20.35 H new ATOM 0 HD3 ARG A 46 45.012 -3.983 21.080 1.00 20.35 H new ATOM 0 HE ARG A 46 47.199 -4.773 21.175 1.00 2.34 H new ATOM 0 HH11 ARG A 46 45.383 -5.852 24.003 1.00 44.20 H new ATOM 0 HH12 ARG A 46 46.670 -6.924 24.565 1.00 44.20 H new ATOM 0 HH21 ARG A 46 48.849 -6.151 21.903 1.00 44.23 H new ATOM 0 HH22 ARG A 46 48.624 -7.093 23.381 1.00 44.23 H new ATOM 648 N THR A 47 40.730 -2.980 22.375 1.00 35.13 N ATOM 649 CA THR A 47 39.533 -3.791 22.186 1.00 42.43 C ATOM 650 C THR A 47 38.270 -2.969 22.418 1.00 62.41 C ATOM 651 O THR A 47 38.063 -2.425 23.502 1.00 42.21 O ATOM 652 CB THR A 47 39.523 -5.006 23.132 1.00 74.35 C ATOM 653 OG1 THR A 47 40.818 -5.616 23.160 1.00 31.03 O ATOM 654 CG2 THR A 47 38.486 -6.027 22.689 1.00 74.43 C ATOM 0 H THR A 47 40.588 -2.144 22.942 1.00 35.13 H new ATOM 0 HA THR A 47 39.549 -4.143 21.155 1.00 42.43 H new ATOM 0 HB THR A 47 39.264 -4.658 24.132 1.00 74.35 H new ATOM 0 HG1 THR A 47 41.256 -5.494 22.292 1.00 31.03 H new ATOM 0 HG21 THR A 47 38.497 -6.876 23.372 1.00 74.43 H new ATOM 0 HG22 THR A 47 37.497 -5.568 22.696 1.00 74.43 H new ATOM 0 HG23 THR A 47 38.720 -6.369 21.681 1.00 74.43 H new ATOM 662 N ALA A 48 37.428 -2.885 21.393 1.00 1.12 N ATOM 663 CA ALA A 48 36.184 -2.132 21.487 1.00 35.03 C ATOM 664 C ALA A 48 35.128 -2.695 20.541 1.00 24.34 C ATOM 665 O ALA A 48 34.020 -3.031 20.960 1.00 32.05 O ATOM 666 CB ALA A 48 36.433 -0.661 21.188 1.00 75.23 C ATOM 0 H ALA A 48 37.585 -3.329 20.488 1.00 1.12 H new ATOM 0 HA ALA A 48 35.808 -2.226 22.506 1.00 35.03 H new ATOM 0 HB1 ALA A 48 35.495 -0.111 21.262 1.00 75.23 H new ATOM 0 HB2 ALA A 48 37.147 -0.259 21.907 1.00 75.23 H new ATOM 0 HB3 ALA A 48 36.836 -0.558 20.180 1.00 75.23 H new ATOM 672 N LEU A 49 35.479 -2.796 19.264 1.00 10.30 N ATOM 673 CA LEU A 49 34.561 -3.318 18.258 1.00 62.25 C ATOM 674 C LEU A 49 34.253 -4.790 18.513 1.00 13.15 C ATOM 675 O LEU A 49 33.173 -5.277 18.178 1.00 13.31 O ATOM 676 CB LEU A 49 35.155 -3.146 16.859 1.00 44.34 C ATOM 677 CG LEU A 49 34.317 -2.336 15.868 1.00 21.34 C ATOM 678 CD1 LEU A 49 32.879 -2.831 15.858 1.00 50.45 C ATOM 679 CD2 LEU A 49 34.371 -0.854 16.210 1.00 21.55 C ATOM 0 H LEU A 49 36.392 -2.523 18.901 1.00 10.30 H new ATOM 0 HA LEU A 49 33.631 -2.754 18.324 1.00 62.25 H new ATOM 0 HB2 LEU A 49 36.129 -2.667 16.956 1.00 44.34 H new ATOM 0 HB3 LEU A 49 35.327 -4.135 16.435 1.00 44.34 H new ATOM 0 HG LEU A 49 34.734 -2.473 14.870 1.00 21.34 H new ATOM 0 HD11 LEU A 49 32.297 -2.244 15.148 1.00 50.45 H new ATOM 0 HD12 LEU A 49 32.858 -3.881 15.565 1.00 50.45 H new ATOM 0 HD13 LEU A 49 32.450 -2.724 16.854 1.00 50.45 H new ATOM 0 HD21 LEU A 49 33.769 -0.293 15.495 1.00 21.55 H new ATOM 0 HD22 LEU A 49 33.979 -0.698 17.215 1.00 21.55 H new ATOM 0 HD23 LEU A 49 35.404 -0.508 16.166 1.00 21.55 H new ATOM 691 N LYS A 50 35.208 -5.494 19.112 1.00 53.22 N ATOM 692 CA LYS A 50 35.038 -6.909 19.417 1.00 61.50 C ATOM 693 C LYS A 50 34.027 -7.106 20.542 1.00 25.33 C ATOM 694 O LYS A 50 33.105 -7.914 20.429 1.00 42.15 O ATOM 695 CB LYS A 50 36.380 -7.532 19.808 1.00 63.32 C ATOM 696 CG LYS A 50 37.389 -7.565 18.673 1.00 43.31 C ATOM 697 CD LYS A 50 36.978 -8.547 17.589 1.00 21.00 C ATOM 698 CE LYS A 50 37.150 -9.987 18.048 1.00 75.12 C ATOM 699 NZ LYS A 50 37.904 -10.800 17.054 1.00 3.30 N ATOM 0 H LYS A 50 36.108 -5.107 19.396 1.00 53.22 H new ATOM 0 HA LYS A 50 34.661 -7.405 18.523 1.00 61.50 H new ATOM 0 HB2 LYS A 50 36.802 -6.971 20.642 1.00 63.32 H new ATOM 0 HB3 LYS A 50 36.210 -8.549 20.161 1.00 63.32 H new ATOM 0 HG2 LYS A 50 37.487 -6.568 18.244 1.00 43.31 H new ATOM 0 HG3 LYS A 50 38.368 -7.842 19.064 1.00 43.31 H new ATOM 0 HD2 LYS A 50 35.938 -8.373 17.314 1.00 21.00 H new ATOM 0 HD3 LYS A 50 37.577 -8.375 16.695 1.00 21.00 H new ATOM 0 HE2 LYS A 50 37.675 -10.003 19.003 1.00 75.12 H new ATOM 0 HE3 LYS A 50 36.170 -10.434 18.215 1.00 75.12 H new ATOM 0 HZ1 LYS A 50 38.000 -11.775 17.404 1.00 3.30 H new ATOM 0 HZ2 LYS A 50 37.391 -10.806 16.149 1.00 3.30 H new ATOM 0 HZ3 LYS A 50 38.849 -10.388 16.914 1.00 3.30 H new ATOM 713 N LYS A 51 34.206 -6.362 21.629 1.00 60.15 N ATOM 714 CA LYS A 51 33.309 -6.452 22.774 1.00 34.02 C ATOM 715 C LYS A 51 31.938 -5.873 22.438 1.00 32.43 C ATOM 716 O LYS A 51 30.924 -6.285 23.003 1.00 14.24 O ATOM 717 CB LYS A 51 33.905 -5.714 23.975 1.00 43.13 C ATOM 718 CG LYS A 51 34.821 -6.577 24.826 1.00 55.02 C ATOM 719 CD LYS A 51 34.436 -6.518 26.295 1.00 74.04 C ATOM 720 CE LYS A 51 35.130 -7.608 27.097 1.00 52.11 C ATOM 721 NZ LYS A 51 34.160 -8.597 27.644 1.00 1.43 N ATOM 0 H LYS A 51 34.965 -5.690 21.740 1.00 60.15 H new ATOM 0 HA LYS A 51 33.188 -7.505 23.026 1.00 34.02 H new ATOM 0 HB2 LYS A 51 34.463 -4.848 23.618 1.00 43.13 H new ATOM 0 HB3 LYS A 51 33.094 -5.336 24.598 1.00 43.13 H new ATOM 0 HG2 LYS A 51 34.777 -7.609 24.478 1.00 55.02 H new ATOM 0 HG3 LYS A 51 35.852 -6.244 24.705 1.00 55.02 H new ATOM 0 HD2 LYS A 51 34.699 -5.542 26.702 1.00 74.04 H new ATOM 0 HD3 LYS A 51 33.356 -6.624 26.394 1.00 74.04 H new ATOM 0 HE2 LYS A 51 35.853 -8.121 26.463 1.00 52.11 H new ATOM 0 HE3 LYS A 51 35.689 -7.156 27.916 1.00 52.11 H new ATOM 0 HZ1 LYS A 51 34.672 -9.323 28.184 1.00 1.43 H new ATOM 0 HZ2 LYS A 51 33.485 -8.112 28.269 1.00 1.43 H new ATOM 0 HZ3 LYS A 51 33.644 -9.047 26.861 1.00 1.43 H new ATOM 735 N LEU A 52 31.914 -4.919 21.515 1.00 51.21 N ATOM 736 CA LEU A 52 30.667 -4.285 21.102 1.00 13.52 C ATOM 737 C LEU A 52 29.840 -5.225 20.231 1.00 13.13 C ATOM 738 O LEU A 52 28.675 -5.495 20.525 1.00 53.31 O ATOM 739 CB LEU A 52 30.957 -2.990 20.341 1.00 3.23 C ATOM 740 CG LEU A 52 30.833 -1.696 21.146 1.00 14.33 C ATOM 741 CD1 LEU A 52 31.833 -1.681 22.292 1.00 73.21 C ATOM 742 CD2 LEU A 52 31.033 -0.486 20.245 1.00 1.25 C ATOM 0 H LEU A 52 32.744 -4.567 21.038 1.00 51.21 H new ATOM 0 HA LEU A 52 30.093 -4.051 21.999 1.00 13.52 H new ATOM 0 HB2 LEU A 52 31.968 -3.048 19.938 1.00 3.23 H new ATOM 0 HB3 LEU A 52 30.277 -2.932 19.491 1.00 3.23 H new ATOM 0 HG LEU A 52 29.829 -1.648 21.567 1.00 14.33 H new ATOM 0 HD11 LEU A 52 31.729 -0.752 22.853 1.00 73.21 H new ATOM 0 HD12 LEU A 52 31.642 -2.527 22.952 1.00 73.21 H new ATOM 0 HD13 LEU A 52 32.845 -1.753 21.893 1.00 73.21 H new ATOM 0 HD21 LEU A 52 30.941 0.426 20.835 1.00 1.25 H new ATOM 0 HD22 LEU A 52 32.024 -0.528 19.794 1.00 1.25 H new ATOM 0 HD23 LEU A 52 30.277 -0.488 19.460 1.00 1.25 H new ATOM 754 N ILE A 53 30.450 -5.722 19.161 1.00 4.10 N ATOM 755 CA ILE A 53 29.771 -6.635 18.250 1.00 44.22 C ATOM 756 C ILE A 53 29.445 -7.956 18.938 1.00 55.14 C ATOM 757 O ILE A 53 28.483 -8.634 18.576 1.00 33.24 O ATOM 758 CB ILE A 53 30.623 -6.918 16.998 1.00 10.51 C ATOM 759 CG1 ILE A 53 31.873 -7.716 17.374 1.00 13.04 C ATOM 760 CG2 ILE A 53 31.007 -5.614 16.313 1.00 33.41 C ATOM 761 CD1 ILE A 53 31.719 -9.208 17.177 1.00 52.22 C ATOM 0 H ILE A 53 31.413 -5.508 18.903 1.00 4.10 H new ATOM 0 HA ILE A 53 28.845 -6.147 17.947 1.00 44.22 H new ATOM 0 HB ILE A 53 30.032 -7.512 16.301 1.00 10.51 H new ATOM 0 HG12 ILE A 53 32.713 -7.363 16.776 1.00 13.04 H new ATOM 0 HG13 ILE A 53 32.120 -7.519 18.417 1.00 13.04 H new ATOM 0 HG21 ILE A 53 31.609 -5.830 15.430 1.00 33.41 H new ATOM 0 HG22 ILE A 53 30.105 -5.080 16.015 1.00 33.41 H new ATOM 0 HG23 ILE A 53 31.583 -4.997 17.002 1.00 33.41 H new ATOM 0 HD11 ILE A 53 32.643 -9.710 17.463 1.00 52.22 H new ATOM 0 HD12 ILE A 53 30.900 -9.574 17.796 1.00 52.22 H new ATOM 0 HD13 ILE A 53 31.503 -9.416 16.129 1.00 52.22 H new ATOM 773 N ASP A 54 30.250 -8.314 19.931 1.00 20.32 N ATOM 774 CA ASP A 54 30.045 -9.553 20.673 1.00 62.34 C ATOM 775 C ASP A 54 28.822 -9.449 21.578 1.00 53.12 C ATOM 776 O ASP A 54 27.987 -10.354 21.620 1.00 5.11 O ATOM 777 CB ASP A 54 31.284 -9.885 21.505 1.00 24.24 C ATOM 778 CG ASP A 54 31.105 -11.142 22.334 1.00 3.24 C ATOM 779 OD1 ASP A 54 31.247 -12.248 21.773 1.00 52.25 O ATOM 780 OD2 ASP A 54 30.823 -11.019 23.545 1.00 73.31 O ATOM 0 H ASP A 54 31.051 -7.764 20.241 1.00 20.32 H new ATOM 0 HA ASP A 54 29.875 -10.354 19.954 1.00 62.34 H new ATOM 0 HB2 ASP A 54 32.140 -10.009 20.842 1.00 24.24 H new ATOM 0 HB3 ASP A 54 31.510 -9.047 22.165 1.00 24.24 H new ATOM 785 N THR A 55 28.721 -8.339 22.303 1.00 51.14 N ATOM 786 CA THR A 55 27.601 -8.117 23.209 1.00 44.21 C ATOM 787 C THR A 55 26.320 -7.821 22.438 1.00 42.13 C ATOM 788 O THR A 55 25.226 -8.180 22.872 1.00 35.12 O ATOM 789 CB THR A 55 27.885 -6.953 24.177 1.00 13.12 C ATOM 790 OG1 THR A 55 26.866 -6.892 25.181 1.00 13.13 O ATOM 791 CG2 THR A 55 27.947 -5.630 23.429 1.00 13.33 C ATOM 0 H THR A 55 29.402 -7.580 22.280 1.00 51.14 H new ATOM 0 HA THR A 55 27.472 -9.035 23.783 1.00 44.21 H new ATOM 0 HB THR A 55 28.851 -7.130 24.650 1.00 13.12 H new ATOM 0 HG1 THR A 55 27.054 -6.151 25.794 1.00 13.13 H new ATOM 0 HG21 THR A 55 28.149 -4.823 24.133 1.00 13.33 H new ATOM 0 HG22 THR A 55 28.743 -5.670 22.685 1.00 13.33 H new ATOM 0 HG23 THR A 55 26.994 -5.448 22.932 1.00 13.33 H new ATOM 799 N TYR A 56 26.463 -7.165 21.292 1.00 43.04 N ATOM 800 CA TYR A 56 25.316 -6.819 20.460 1.00 24.34 C ATOM 801 C TYR A 56 24.768 -8.052 19.748 1.00 22.23 C ATOM 802 O TYR A 56 23.556 -8.263 19.692 1.00 40.51 O ATOM 803 CB TYR A 56 25.707 -5.755 19.433 1.00 15.14 C ATOM 804 CG TYR A 56 26.052 -4.418 20.049 1.00 54.53 C ATOM 805 CD1 TYR A 56 25.475 -4.013 21.247 1.00 45.33 C ATOM 806 CD2 TYR A 56 26.953 -3.558 19.432 1.00 35.40 C ATOM 807 CE1 TYR A 56 25.787 -2.791 21.812 1.00 20.54 C ATOM 808 CE2 TYR A 56 27.271 -2.336 19.991 1.00 21.01 C ATOM 809 CZ TYR A 56 26.686 -1.957 21.181 1.00 13.01 C ATOM 810 OH TYR A 56 26.999 -0.740 21.741 1.00 44.54 O ATOM 0 H TYR A 56 27.362 -6.862 20.918 1.00 43.04 H new ATOM 0 HA TYR A 56 24.536 -6.419 21.108 1.00 24.34 H new ATOM 0 HB2 TYR A 56 26.562 -6.113 18.859 1.00 15.14 H new ATOM 0 HB3 TYR A 56 24.885 -5.621 18.730 1.00 15.14 H new ATOM 0 HD1 TYR A 56 24.771 -4.664 21.744 1.00 45.33 H new ATOM 0 HD2 TYR A 56 27.412 -3.851 18.499 1.00 35.40 H new ATOM 0 HE1 TYR A 56 25.329 -2.491 22.743 1.00 20.54 H new ATOM 0 HE2 TYR A 56 27.974 -1.680 19.499 1.00 21.01 H new ATOM 0 HH TYR A 56 27.648 -0.275 21.172 1.00 44.54 H new ATOM 820 N CYS A 57 25.670 -8.864 19.207 1.00 55.10 N ATOM 821 CA CYS A 57 25.278 -10.077 18.498 1.00 50.12 C ATOM 822 C CYS A 57 24.740 -11.124 19.468 1.00 52.14 C ATOM 823 O CYS A 57 23.784 -11.837 19.161 1.00 11.13 O ATOM 824 CB CYS A 57 26.467 -10.646 17.723 1.00 42.25 C ATOM 825 SG CYS A 57 26.850 -9.752 16.198 1.00 21.10 S ATOM 0 H CYS A 57 26.677 -8.704 19.246 1.00 55.10 H new ATOM 0 HA CYS A 57 24.486 -9.818 17.795 1.00 50.12 H new ATOM 0 HB2 CYS A 57 27.346 -10.636 18.368 1.00 42.25 H new ATOM 0 HB3 CYS A 57 26.263 -11.688 17.479 1.00 42.25 H new ATOM 0 HG CYS A 57 27.732 -8.830 16.445 1.00 21.10 H new ATOM 831 N LYS A 58 25.361 -11.213 20.639 1.00 50.42 N ATOM 832 CA LYS A 58 24.946 -12.172 21.655 1.00 71.52 C ATOM 833 C LYS A 58 23.608 -11.772 22.267 1.00 14.03 C ATOM 834 O LYS A 58 22.748 -12.618 22.515 1.00 24.25 O ATOM 835 CB LYS A 58 26.009 -12.278 22.751 1.00 61.25 C ATOM 836 CG LYS A 58 27.190 -13.154 22.370 1.00 42.05 C ATOM 837 CD LYS A 58 27.411 -14.264 23.383 1.00 31.40 C ATOM 838 CE LYS A 58 28.601 -15.133 23.007 1.00 25.24 C ATOM 839 NZ LYS A 58 28.630 -16.402 23.787 1.00 42.31 N ATOM 0 H LYS A 58 26.155 -10.632 20.908 1.00 50.42 H new ATOM 0 HA LYS A 58 24.830 -13.144 21.175 1.00 71.52 H new ATOM 0 HB2 LYS A 58 26.371 -11.279 22.992 1.00 61.25 H new ATOM 0 HB3 LYS A 58 25.548 -12.677 23.655 1.00 61.25 H new ATOM 0 HG2 LYS A 58 27.019 -13.588 21.385 1.00 42.05 H new ATOM 0 HG3 LYS A 58 28.089 -12.542 22.297 1.00 42.05 H new ATOM 0 HD2 LYS A 58 27.573 -13.830 24.370 1.00 31.40 H new ATOM 0 HD3 LYS A 58 26.515 -14.881 23.449 1.00 31.40 H new ATOM 0 HE2 LYS A 58 28.561 -15.362 21.942 1.00 25.24 H new ATOM 0 HE3 LYS A 58 29.524 -14.579 23.180 1.00 25.24 H new ATOM 0 HZ1 LYS A 58 29.456 -16.966 23.502 1.00 42.31 H new ATOM 0 HZ2 LYS A 58 28.694 -16.184 24.802 1.00 42.31 H new ATOM 0 HZ3 LYS A 58 27.761 -16.943 23.603 1.00 42.31 H new ATOM 853 N LYS A 59 23.436 -10.477 22.508 1.00 42.52 N ATOM 854 CA LYS A 59 22.202 -9.962 23.089 1.00 74.44 C ATOM 855 C LYS A 59 21.039 -10.108 22.112 1.00 70.10 C ATOM 856 O LYS A 59 19.961 -10.572 22.482 1.00 30.21 O ATOM 857 CB LYS A 59 22.371 -8.493 23.480 1.00 3.24 C ATOM 858 CG LYS A 59 23.078 -8.296 24.810 1.00 3.42 C ATOM 859 CD LYS A 59 23.326 -6.824 25.097 1.00 22.21 C ATOM 860 CE LYS A 59 22.321 -6.274 26.098 1.00 62.53 C ATOM 861 NZ LYS A 59 21.133 -5.683 25.423 1.00 40.05 N ATOM 0 H LYS A 59 24.137 -9.763 22.309 1.00 42.52 H new ATOM 0 HA LYS A 59 21.980 -10.546 23.982 1.00 74.44 H new ATOM 0 HB2 LYS A 59 22.933 -7.980 22.700 1.00 3.24 H new ATOM 0 HB3 LYS A 59 21.389 -8.023 23.527 1.00 3.24 H new ATOM 0 HG2 LYS A 59 22.477 -8.727 25.610 1.00 3.42 H new ATOM 0 HG3 LYS A 59 24.028 -8.831 24.801 1.00 3.42 H new ATOM 0 HD2 LYS A 59 24.336 -6.693 25.485 1.00 22.21 H new ATOM 0 HD3 LYS A 59 23.265 -6.256 24.169 1.00 22.21 H new ATOM 0 HE2 LYS A 59 21.999 -7.073 26.766 1.00 62.53 H new ATOM 0 HE3 LYS A 59 22.802 -5.516 26.716 1.00 62.53 H new ATOM 0 HZ1 LYS A 59 20.472 -5.319 26.139 1.00 40.05 H new ATOM 0 HZ2 LYS A 59 21.437 -4.904 24.805 1.00 40.05 H new ATOM 0 HZ3 LYS A 59 20.659 -6.412 24.853 1.00 40.05 H new ATOM 875 N GLN A 60 21.267 -9.710 20.864 1.00 34.15 N ATOM 876 CA GLN A 60 20.237 -9.798 19.835 1.00 3.34 C ATOM 877 C GLN A 60 19.839 -11.249 19.586 1.00 12.42 C ATOM 878 O GLN A 60 18.774 -11.525 19.036 1.00 14.41 O ATOM 879 CB GLN A 60 20.731 -9.161 18.535 1.00 61.51 C ATOM 880 CG GLN A 60 20.654 -7.643 18.533 1.00 73.33 C ATOM 881 CD GLN A 60 20.213 -7.083 17.195 1.00 71.44 C ATOM 882 OE1 GLN A 60 19.274 -7.587 16.577 1.00 11.51 O ATOM 883 NE2 GLN A 60 20.890 -6.036 16.739 1.00 52.11 N ATOM 0 H GLN A 60 22.154 -9.324 20.541 1.00 34.15 H new ATOM 0 HA GLN A 60 19.359 -9.256 20.187 1.00 3.34 H new ATOM 0 HB2 GLN A 60 21.763 -9.464 18.361 1.00 61.51 H new ATOM 0 HB3 GLN A 60 20.141 -9.547 17.704 1.00 61.51 H new ATOM 0 HG2 GLN A 60 19.958 -7.317 19.306 1.00 73.33 H new ATOM 0 HG3 GLN A 60 21.631 -7.233 18.790 1.00 73.33 H new ATOM 0 HE21 GLN A 60 21.661 -5.651 17.284 1.00 52.11 H new ATOM 0 HE22 GLN A 60 20.639 -5.617 15.844 1.00 52.11 H new ATOM 892 N GLY A 61 20.703 -12.173 19.995 1.00 74.20 N ATOM 893 CA GLY A 61 20.423 -13.585 19.807 1.00 53.33 C ATOM 894 C GLY A 61 20.772 -14.064 18.412 1.00 52.14 C ATOM 895 O GLY A 61 20.132 -14.974 17.883 1.00 44.32 O ATOM 0 H GLY A 61 21.591 -11.969 20.453 1.00 74.20 H new ATOM 0 HA2 GLY A 61 20.986 -14.165 20.538 1.00 53.33 H new ATOM 0 HA3 GLY A 61 19.366 -13.771 19.998 1.00 53.33 H new ATOM 899 N ILE A 62 21.787 -13.450 17.814 1.00 41.13 N ATOM 900 CA ILE A 62 22.219 -13.819 16.471 1.00 31.34 C ATOM 901 C ILE A 62 23.736 -13.735 16.339 1.00 13.12 C ATOM 902 O ILE A 62 24.356 -12.774 16.794 1.00 42.35 O ATOM 903 CB ILE A 62 21.571 -12.918 15.404 1.00 71.24 C ATOM 904 CG1 ILE A 62 21.683 -11.447 15.810 1.00 63.33 C ATOM 905 CG2 ILE A 62 20.115 -13.306 15.196 1.00 35.31 C ATOM 906 CD1 ILE A 62 21.023 -10.499 14.834 1.00 53.11 C ATOM 0 H ILE A 62 22.326 -12.695 18.238 1.00 41.13 H new ATOM 0 HA ILE A 62 21.899 -14.848 16.308 1.00 31.34 H new ATOM 0 HB ILE A 62 22.102 -13.057 14.462 1.00 71.24 H new ATOM 0 HG12 ILE A 62 21.232 -11.315 16.794 1.00 63.33 H new ATOM 0 HG13 ILE A 62 22.737 -11.184 15.904 1.00 63.33 H new ATOM 0 HG21 ILE A 62 19.671 -12.660 14.439 1.00 35.31 H new ATOM 0 HG22 ILE A 62 20.058 -14.343 14.866 1.00 35.31 H new ATOM 0 HG23 ILE A 62 19.571 -13.193 16.134 1.00 35.31 H new ATOM 0 HD11 ILE A 62 21.142 -9.474 15.186 1.00 53.11 H new ATOM 0 HD12 ILE A 62 21.489 -10.603 13.854 1.00 53.11 H new ATOM 0 HD13 ILE A 62 19.962 -10.736 14.758 1.00 53.11 H new ATOM 918 N SER A 63 24.327 -14.747 15.712 1.00 11.12 N ATOM 919 CA SER A 63 25.772 -14.789 15.521 1.00 11.53 C ATOM 920 C SER A 63 26.253 -13.567 14.744 1.00 13.44 C ATOM 921 O SER A 63 25.449 -12.777 14.249 1.00 52.14 O ATOM 922 CB SER A 63 26.173 -16.067 14.783 1.00 45.11 C ATOM 923 OG SER A 63 27.500 -16.447 15.105 1.00 42.51 O ATOM 0 H SER A 63 23.827 -15.549 15.328 1.00 11.12 H new ATOM 0 HA SER A 63 26.244 -14.782 16.503 1.00 11.53 H new ATOM 0 HB2 SER A 63 25.487 -16.872 15.045 1.00 45.11 H new ATOM 0 HB3 SER A 63 26.087 -15.912 13.708 1.00 45.11 H new ATOM 0 HG SER A 63 27.732 -17.268 14.622 1.00 42.51 H new ATOM 929 N ARG A 64 27.569 -13.418 14.643 1.00 25.21 N ATOM 930 CA ARG A 64 28.159 -12.292 13.928 1.00 34.51 C ATOM 931 C ARG A 64 28.265 -12.592 12.436 1.00 41.03 C ATOM 932 O ARG A 64 29.331 -12.449 11.839 1.00 40.35 O ATOM 933 CB ARG A 64 29.543 -11.969 14.494 1.00 35.23 C ATOM 934 CG ARG A 64 29.593 -11.964 16.013 1.00 0.04 C ATOM 935 CD ARG A 64 30.298 -13.199 16.552 1.00 64.04 C ATOM 936 NE ARG A 64 31.086 -12.903 17.745 1.00 45.20 N ATOM 937 CZ ARG A 64 32.304 -12.373 17.709 1.00 51.42 C ATOM 938 NH1 ARG A 64 32.869 -12.081 16.545 1.00 24.45 N ATOM 939 NH2 ARG A 64 32.958 -12.132 18.838 1.00 71.10 N ATOM 0 H ARG A 64 28.248 -14.063 15.047 1.00 25.21 H new ATOM 0 HA ARG A 64 27.509 -11.427 14.062 1.00 34.51 H new ATOM 0 HB2 ARG A 64 30.260 -12.699 14.118 1.00 35.23 H new ATOM 0 HB3 ARG A 64 29.858 -10.993 14.125 1.00 35.23 H new ATOM 0 HG2 ARG A 64 30.110 -11.069 16.358 1.00 0.04 H new ATOM 0 HG3 ARG A 64 28.579 -11.920 16.411 1.00 0.04 H new ATOM 0 HD2 ARG A 64 29.559 -13.965 16.787 1.00 64.04 H new ATOM 0 HD3 ARG A 64 30.949 -13.610 15.781 1.00 64.04 H new ATOM 0 HE ARG A 64 30.679 -13.115 18.656 1.00 45.20 H new ATOM 0 HH11 ARG A 64 32.368 -12.263 15.675 1.00 24.45 H new ATOM 0 HH12 ARG A 64 33.804 -11.674 16.520 1.00 24.45 H new ATOM 0 HH21 ARG A 64 32.526 -12.354 19.735 1.00 71.10 H new ATOM 0 HH22 ARG A 64 33.893 -11.725 18.809 1.00 71.10 H new ATOM 953 N ASN A 65 27.153 -13.009 11.840 1.00 35.12 N ATOM 954 CA ASN A 65 27.121 -13.330 10.418 1.00 60.01 C ATOM 955 C ASN A 65 25.867 -12.763 9.760 1.00 51.31 C ATOM 956 O ASN A 65 25.353 -13.324 8.792 1.00 44.40 O ATOM 957 CB ASN A 65 27.176 -14.845 10.214 1.00 23.44 C ATOM 958 CG ASN A 65 28.279 -15.261 9.260 1.00 41.21 C ATOM 959 OD1 ASN A 65 29.427 -15.447 9.664 1.00 61.43 O ATOM 960 ND2 ASN A 65 27.935 -15.407 7.986 1.00 74.22 N ATOM 0 H ASN A 65 26.262 -13.133 12.320 1.00 35.12 H new ATOM 0 HA ASN A 65 27.994 -12.875 9.949 1.00 60.01 H new ATOM 0 HB2 ASN A 65 27.329 -15.333 11.177 1.00 23.44 H new ATOM 0 HB3 ASN A 65 26.217 -15.192 9.829 1.00 23.44 H new ATOM 0 HD21 ASN A 65 28.635 -15.684 7.297 1.00 74.22 H new ATOM 0 HD22 ASN A 65 26.971 -15.242 7.696 1.00 74.22 H new ATOM 967 N SER A 66 25.379 -11.646 10.292 1.00 64.40 N ATOM 968 CA SER A 66 24.184 -11.004 9.759 1.00 73.22 C ATOM 969 C SER A 66 24.213 -9.501 10.018 1.00 31.01 C ATOM 970 O SER A 66 23.169 -8.853 10.100 1.00 24.14 O ATOM 971 CB SER A 66 22.929 -11.617 10.383 1.00 14.35 C ATOM 972 OG SER A 66 21.958 -11.910 9.394 1.00 72.41 O ATOM 0 H SER A 66 25.794 -11.168 11.092 1.00 64.40 H new ATOM 0 HA SER A 66 24.163 -11.169 8.682 1.00 73.22 H new ATOM 0 HB2 SER A 66 23.194 -12.529 10.918 1.00 14.35 H new ATOM 0 HB3 SER A 66 22.510 -10.928 11.116 1.00 14.35 H new ATOM 0 HG SER A 66 21.167 -12.302 9.819 1.00 72.41 H new ATOM 978 N VAL A 67 25.417 -8.952 10.146 1.00 32.21 N ATOM 979 CA VAL A 67 25.584 -7.525 10.395 1.00 61.40 C ATOM 980 C VAL A 67 26.931 -7.032 9.880 1.00 5.11 C ATOM 981 O VAL A 67 27.984 -7.487 10.329 1.00 14.35 O ATOM 982 CB VAL A 67 25.470 -7.200 11.896 1.00 22.42 C ATOM 983 CG1 VAL A 67 24.015 -7.223 12.339 1.00 62.12 C ATOM 984 CG2 VAL A 67 26.301 -8.176 12.717 1.00 52.25 C ATOM 0 H VAL A 67 26.291 -9.474 10.081 1.00 32.21 H new ATOM 0 HA VAL A 67 24.784 -7.014 9.859 1.00 61.40 H new ATOM 0 HB VAL A 67 25.860 -6.196 12.063 1.00 22.42 H new ATOM 0 HG11 VAL A 67 23.955 -6.991 13.402 1.00 62.12 H new ATOM 0 HG12 VAL A 67 23.451 -6.482 11.773 1.00 62.12 H new ATOM 0 HG13 VAL A 67 23.596 -8.213 12.159 1.00 62.12 H new ATOM 0 HG21 VAL A 67 26.209 -7.932 13.775 1.00 52.25 H new ATOM 0 HG22 VAL A 67 25.943 -9.191 12.547 1.00 52.25 H new ATOM 0 HG23 VAL A 67 27.347 -8.105 12.418 1.00 52.25 H new ATOM 994 N ARG A 68 26.892 -6.098 8.935 1.00 33.31 N ATOM 995 CA ARG A 68 28.110 -5.543 8.358 1.00 30.00 C ATOM 996 C ARG A 68 28.426 -4.179 8.964 1.00 11.22 C ATOM 997 O ARG A 68 27.737 -3.194 8.696 1.00 24.10 O ATOM 998 CB ARG A 68 27.970 -5.418 6.840 1.00 74.22 C ATOM 999 CG ARG A 68 29.293 -5.217 6.120 1.00 3.13 C ATOM 1000 CD ARG A 68 30.001 -6.540 5.874 1.00 35.42 C ATOM 1001 NE ARG A 68 30.868 -6.488 4.701 1.00 50.55 N ATOM 1002 CZ ARG A 68 31.591 -7.517 4.274 1.00 3.13 C ATOM 1003 NH1 ARG A 68 31.551 -8.673 4.922 1.00 71.11 N ATOM 1004 NH2 ARG A 68 32.357 -7.391 3.198 1.00 72.02 N ATOM 0 H ARG A 68 26.030 -5.710 8.553 1.00 33.31 H new ATOM 0 HA ARG A 68 28.932 -6.222 8.586 1.00 30.00 H new ATOM 0 HB2 ARG A 68 27.488 -6.316 6.453 1.00 74.22 H new ATOM 0 HB3 ARG A 68 27.311 -4.580 6.612 1.00 74.22 H new ATOM 0 HG2 ARG A 68 29.118 -4.715 5.169 1.00 3.13 H new ATOM 0 HG3 ARG A 68 29.935 -4.564 6.712 1.00 3.13 H new ATOM 0 HD2 ARG A 68 30.593 -6.802 6.751 1.00 35.42 H new ATOM 0 HD3 ARG A 68 29.260 -7.328 5.742 1.00 35.42 H new ATOM 0 HE ARG A 68 30.922 -5.613 4.180 1.00 50.55 H new ATOM 0 HH11 ARG A 68 30.964 -8.773 5.750 1.00 71.11 H new ATOM 0 HH12 ARG A 68 32.107 -9.462 4.592 1.00 71.11 H new ATOM 0 HH21 ARG A 68 32.391 -6.503 2.697 1.00 72.02 H new ATOM 0 HH22 ARG A 68 32.912 -8.182 2.871 1.00 72.02 H new ATOM 1018 N PHE A 69 29.471 -4.129 9.783 1.00 3.22 N ATOM 1019 CA PHE A 69 29.878 -2.886 10.429 1.00 72.20 C ATOM 1020 C PHE A 69 30.928 -2.158 9.595 1.00 24.43 C ATOM 1021 O PHE A 69 32.082 -2.583 9.521 1.00 3.15 O ATOM 1022 CB PHE A 69 30.428 -3.170 11.828 1.00 12.03 C ATOM 1023 CG PHE A 69 29.572 -4.108 12.630 1.00 73.20 C ATOM 1024 CD1 PHE A 69 28.509 -3.629 13.379 1.00 2.41 C ATOM 1025 CD2 PHE A 69 29.829 -5.470 12.634 1.00 11.41 C ATOM 1026 CE1 PHE A 69 27.720 -4.490 14.118 1.00 4.22 C ATOM 1027 CE2 PHE A 69 29.043 -6.336 13.371 1.00 2.31 C ATOM 1028 CZ PHE A 69 27.987 -5.845 14.113 1.00 31.12 C ATOM 0 H PHE A 69 30.052 -4.935 10.015 1.00 3.22 H new ATOM 0 HA PHE A 69 29.000 -2.246 10.515 1.00 72.20 H new ATOM 0 HB2 PHE A 69 31.429 -3.592 11.737 1.00 12.03 H new ATOM 0 HB3 PHE A 69 30.527 -2.229 12.369 1.00 12.03 H new ATOM 0 HD1 PHE A 69 28.295 -2.571 13.385 1.00 2.41 H new ATOM 0 HD2 PHE A 69 30.653 -5.859 12.054 1.00 11.41 H new ATOM 0 HE1 PHE A 69 26.896 -4.104 14.699 1.00 4.22 H new ATOM 0 HE2 PHE A 69 29.255 -7.395 13.366 1.00 2.31 H new ATOM 0 HZ PHE A 69 27.371 -6.520 14.689 1.00 31.12 H new ATOM 1038 N LEU A 70 30.521 -1.060 8.968 1.00 33.45 N ATOM 1039 CA LEU A 70 31.426 -0.272 8.139 1.00 75.42 C ATOM 1040 C LEU A 70 31.692 1.092 8.767 1.00 32.33 C ATOM 1041 O LEU A 70 30.834 1.650 9.451 1.00 33.25 O ATOM 1042 CB LEU A 70 30.840 -0.095 6.737 1.00 74.11 C ATOM 1043 CG LEU A 70 29.322 0.072 6.660 1.00 13.31 C ATOM 1044 CD1 LEU A 70 28.905 1.425 7.215 1.00 1.45 C ATOM 1045 CD2 LEU A 70 28.839 -0.089 5.226 1.00 62.20 C ATOM 0 H LEU A 70 29.570 -0.695 9.018 1.00 33.45 H new ATOM 0 HA LEU A 70 32.372 -0.808 8.066 1.00 75.42 H new ATOM 0 HB2 LEU A 70 31.305 0.777 6.278 1.00 74.11 H new ATOM 0 HB3 LEU A 70 31.121 -0.959 6.136 1.00 74.11 H new ATOM 0 HG LEU A 70 28.860 -0.706 7.268 1.00 13.31 H new ATOM 0 HD11 LEU A 70 27.822 1.526 7.152 1.00 1.45 H new ATOM 0 HD12 LEU A 70 29.217 1.503 8.257 1.00 1.45 H new ATOM 0 HD13 LEU A 70 29.378 2.218 6.635 1.00 1.45 H new ATOM 0 HD21 LEU A 70 27.756 0.033 5.191 1.00 62.20 H new ATOM 0 HD22 LEU A 70 29.310 0.666 4.597 1.00 62.20 H new ATOM 0 HD23 LEU A 70 29.104 -1.082 4.862 1.00 62.20 H new ATOM 1057 N PHE A 71 32.886 1.624 8.529 1.00 53.41 N ATOM 1058 CA PHE A 71 33.265 2.924 9.071 1.00 51.15 C ATOM 1059 C PHE A 71 33.676 3.880 7.954 1.00 31.41 C ATOM 1060 O PHE A 71 34.745 3.734 7.360 1.00 14.42 O ATOM 1061 CB PHE A 71 34.411 2.768 10.072 1.00 44.33 C ATOM 1062 CG PHE A 71 35.144 4.050 10.348 1.00 22.01 C ATOM 1063 CD1 PHE A 71 34.448 5.218 10.614 1.00 41.01 C ATOM 1064 CD2 PHE A 71 36.529 4.087 10.342 1.00 63.34 C ATOM 1065 CE1 PHE A 71 35.119 6.399 10.869 1.00 3.10 C ATOM 1066 CE2 PHE A 71 37.206 5.265 10.596 1.00 31.54 C ATOM 1067 CZ PHE A 71 36.500 6.422 10.859 1.00 1.42 C ATOM 0 H PHE A 71 33.608 1.175 7.965 1.00 53.41 H new ATOM 0 HA PHE A 71 32.399 3.343 9.583 1.00 51.15 H new ATOM 0 HB2 PHE A 71 34.014 2.377 11.009 1.00 44.33 H new ATOM 0 HB3 PHE A 71 35.117 2.030 9.692 1.00 44.33 H new ATOM 0 HD1 PHE A 71 33.368 5.205 10.622 1.00 41.01 H new ATOM 0 HD2 PHE A 71 37.086 3.185 10.136 1.00 63.34 H new ATOM 0 HE1 PHE A 71 34.564 7.302 11.076 1.00 3.10 H new ATOM 0 HE2 PHE A 71 38.286 5.280 10.589 1.00 31.54 H new ATOM 0 HZ PHE A 71 37.027 7.344 11.057 1.00 1.42 H new ATOM 1077 N ASP A 72 32.820 4.856 7.674 1.00 34.21 N ATOM 1078 CA ASP A 72 33.093 5.836 6.630 1.00 54.24 C ATOM 1079 C ASP A 72 33.288 5.152 5.280 1.00 4.31 C ATOM 1080 O ASP A 72 33.899 5.713 4.371 1.00 13.31 O ATOM 1081 CB ASP A 72 34.333 6.658 6.984 1.00 50.15 C ATOM 1082 CG ASP A 72 34.320 8.031 6.341 1.00 44.11 C ATOM 1083 OD1 ASP A 72 33.527 8.887 6.786 1.00 42.54 O ATOM 1084 OD2 ASP A 72 35.104 8.250 5.394 1.00 23.20 O ATOM 0 H ASP A 72 31.931 4.990 8.156 1.00 34.21 H new ATOM 0 HA ASP A 72 32.234 6.503 6.558 1.00 54.24 H new ATOM 0 HB2 ASP A 72 34.396 6.768 8.067 1.00 50.15 H new ATOM 0 HB3 ASP A 72 35.226 6.119 6.666 1.00 50.15 H new ATOM 1089 N GLY A 73 32.767 3.935 5.158 1.00 54.44 N ATOM 1090 CA GLY A 73 32.896 3.194 3.917 1.00 52.34 C ATOM 1091 C GLY A 73 33.852 2.024 4.037 1.00 53.11 C ATOM 1092 O GLY A 73 34.185 1.379 3.042 1.00 12.10 O ATOM 0 H GLY A 73 32.258 3.449 5.896 1.00 54.44 H new ATOM 0 HA2 GLY A 73 31.915 2.828 3.612 1.00 52.34 H new ATOM 0 HA3 GLY A 73 33.244 3.865 3.131 1.00 52.34 H new ATOM 1096 N THR A 74 34.297 1.749 5.259 1.00 70.30 N ATOM 1097 CA THR A 74 35.223 0.650 5.506 1.00 54.43 C ATOM 1098 C THR A 74 34.532 -0.498 6.232 1.00 70.21 C ATOM 1099 O THR A 74 34.541 -0.582 7.460 1.00 35.52 O ATOM 1100 CB THR A 74 36.435 1.113 6.336 1.00 14.02 C ATOM 1101 OG1 THR A 74 36.009 1.512 7.644 1.00 31.50 O ATOM 1102 CG2 THR A 74 37.147 2.271 5.655 1.00 44.25 C ATOM 0 H THR A 74 34.031 2.272 6.093 1.00 70.30 H new ATOM 0 HA THR A 74 35.570 0.304 4.533 1.00 54.43 H new ATOM 0 HB THR A 74 37.131 0.278 6.419 1.00 14.02 H new ATOM 0 HG1 THR A 74 35.577 2.390 7.594 1.00 31.50 H new ATOM 0 HG21 THR A 74 37.999 2.580 6.260 1.00 44.25 H new ATOM 0 HG22 THR A 74 37.495 1.956 4.671 1.00 44.25 H new ATOM 0 HG23 THR A 74 36.457 3.108 5.545 1.00 44.25 H new ATOM 1110 N PRO A 75 33.919 -1.406 5.457 1.00 1.34 N ATOM 1111 CA PRO A 75 33.213 -2.567 6.006 1.00 30.23 C ATOM 1112 C PRO A 75 34.165 -3.589 6.618 1.00 5.45 C ATOM 1113 O PRO A 75 34.737 -4.420 5.912 1.00 53.31 O ATOM 1114 CB PRO A 75 32.505 -3.161 4.786 1.00 14.11 C ATOM 1115 CG PRO A 75 33.323 -2.721 3.622 1.00 64.33 C ATOM 1116 CD PRO A 75 33.869 -1.368 3.986 1.00 32.22 C ATOM 0 HA PRO A 75 32.538 -2.288 6.815 1.00 30.23 H new ATOM 0 HB2 PRO A 75 32.456 -4.248 4.847 1.00 14.11 H new ATOM 0 HB3 PRO A 75 31.480 -2.800 4.708 1.00 14.11 H new ATOM 0 HG2 PRO A 75 34.130 -3.427 3.423 1.00 64.33 H new ATOM 0 HG3 PRO A 75 32.717 -2.667 2.718 1.00 64.33 H new ATOM 0 HD2 PRO A 75 34.856 -1.203 3.554 1.00 32.22 H new ATOM 0 HD3 PRO A 75 33.226 -0.565 3.626 1.00 32.22 H new ATOM 1124 N ILE A 76 34.331 -3.521 7.935 1.00 25.00 N ATOM 1125 CA ILE A 76 35.214 -4.441 8.641 1.00 33.55 C ATOM 1126 C ILE A 76 34.689 -4.740 10.042 1.00 43.11 C ATOM 1127 O ILE A 76 34.118 -3.870 10.700 1.00 22.44 O ATOM 1128 CB ILE A 76 36.643 -3.879 8.750 1.00 65.31 C ATOM 1129 CG1 ILE A 76 37.220 -3.621 7.357 1.00 64.25 C ATOM 1130 CG2 ILE A 76 37.532 -4.838 9.528 1.00 61.32 C ATOM 1131 CD1 ILE A 76 38.569 -2.936 7.378 1.00 12.23 C ATOM 0 H ILE A 76 33.866 -2.839 8.534 1.00 25.00 H new ATOM 0 HA ILE A 76 35.239 -5.363 8.060 1.00 33.55 H new ATOM 0 HB ILE A 76 36.605 -2.932 9.289 1.00 65.31 H new ATOM 0 HG12 ILE A 76 37.312 -4.570 6.829 1.00 64.25 H new ATOM 0 HG13 ILE A 76 36.519 -3.008 6.790 1.00 64.25 H new ATOM 0 HG21 ILE A 76 38.539 -4.426 9.596 1.00 61.32 H new ATOM 0 HG22 ILE A 76 37.128 -4.977 10.531 1.00 61.32 H new ATOM 0 HG23 ILE A 76 37.567 -5.799 9.015 1.00 61.32 H new ATOM 0 HD11 ILE A 76 38.916 -2.785 6.356 1.00 12.23 H new ATOM 0 HD12 ILE A 76 38.479 -1.971 7.877 1.00 12.23 H new ATOM 0 HD13 ILE A 76 39.284 -3.558 7.916 1.00 12.23 H new ATOM 1143 N ASP A 77 34.888 -5.974 10.492 1.00 45.14 N ATOM 1144 CA ASP A 77 34.438 -6.387 11.816 1.00 64.13 C ATOM 1145 C ASP A 77 35.622 -6.777 12.695 1.00 4.00 C ATOM 1146 O ASP A 77 36.066 -7.924 12.681 1.00 64.53 O ATOM 1147 CB ASP A 77 33.463 -7.560 11.703 1.00 12.32 C ATOM 1148 CG ASP A 77 33.966 -8.644 10.771 1.00 53.14 C ATOM 1149 OD1 ASP A 77 33.712 -8.543 9.552 1.00 73.43 O ATOM 1150 OD2 ASP A 77 34.614 -9.592 11.259 1.00 21.42 O ATOM 0 H ASP A 77 35.358 -6.706 9.959 1.00 45.14 H new ATOM 0 HA ASP A 77 33.927 -5.543 12.279 1.00 64.13 H new ATOM 0 HB2 ASP A 77 33.295 -7.985 12.692 1.00 12.32 H new ATOM 0 HB3 ASP A 77 32.500 -7.195 11.345 1.00 12.32 H new ATOM 1155 N GLU A 78 36.129 -5.813 13.458 1.00 30.51 N ATOM 1156 CA GLU A 78 37.263 -6.057 14.342 1.00 11.30 C ATOM 1157 C GLU A 78 37.626 -4.796 15.120 1.00 3.55 C ATOM 1158 O GLU A 78 37.143 -3.704 14.818 1.00 14.05 O ATOM 1159 CB GLU A 78 38.472 -6.538 13.537 1.00 74.32 C ATOM 1160 CG GLU A 78 38.789 -8.011 13.738 1.00 43.54 C ATOM 1161 CD GLU A 78 39.012 -8.743 12.429 1.00 70.13 C ATOM 1162 OE1 GLU A 78 39.517 -8.113 11.476 1.00 75.35 O ATOM 1163 OE2 GLU A 78 38.682 -9.945 12.357 1.00 32.23 O ATOM 0 H GLU A 78 35.773 -4.857 13.482 1.00 30.51 H new ATOM 0 HA GLU A 78 36.977 -6.833 15.052 1.00 11.30 H new ATOM 0 HB2 GLU A 78 38.289 -6.355 12.478 1.00 74.32 H new ATOM 0 HB3 GLU A 78 39.343 -5.946 13.817 1.00 74.32 H new ATOM 0 HG2 GLU A 78 39.680 -8.106 14.359 1.00 43.54 H new ATOM 0 HG3 GLU A 78 37.970 -8.484 14.280 1.00 43.54 H new ATOM 1170 N THR A 79 38.482 -4.953 16.126 1.00 61.44 N ATOM 1171 CA THR A 79 38.910 -3.830 16.949 1.00 13.51 C ATOM 1172 C THR A 79 40.358 -3.453 16.657 1.00 74.14 C ATOM 1173 O THR A 79 40.978 -2.700 17.407 1.00 40.40 O ATOM 1174 CB THR A 79 38.767 -4.146 18.450 1.00 75.13 C ATOM 1175 OG1 THR A 79 39.111 -2.995 19.228 1.00 11.33 O ATOM 1176 CG2 THR A 79 39.656 -5.315 18.843 1.00 23.54 C ATOM 0 H THR A 79 38.892 -5.849 16.390 1.00 61.44 H new ATOM 0 HA THR A 79 38.261 -2.991 16.698 1.00 13.51 H new ATOM 0 HB THR A 79 37.730 -4.418 18.645 1.00 75.13 H new ATOM 0 HG1 THR A 79 39.878 -2.541 18.820 1.00 11.33 H new ATOM 0 HG21 THR A 79 39.538 -5.520 19.907 1.00 23.54 H new ATOM 0 HG22 THR A 79 39.371 -6.197 18.270 1.00 23.54 H new ATOM 0 HG23 THR A 79 40.697 -5.067 18.634 1.00 23.54 H new ATOM 1184 N LYS A 80 40.892 -3.982 15.561 1.00 53.32 N ATOM 1185 CA LYS A 80 42.267 -3.700 15.167 1.00 70.11 C ATOM 1186 C LYS A 80 42.313 -3.014 13.806 1.00 43.45 C ATOM 1187 O LYS A 80 43.166 -2.160 13.557 1.00 71.40 O ATOM 1188 CB LYS A 80 43.083 -4.994 15.125 1.00 35.32 C ATOM 1189 CG LYS A 80 44.105 -5.105 16.243 1.00 44.14 C ATOM 1190 CD LYS A 80 43.441 -5.107 17.609 1.00 75.01 C ATOM 1191 CE LYS A 80 43.869 -6.310 18.435 1.00 11.14 C ATOM 1192 NZ LYS A 80 45.322 -6.272 18.758 1.00 62.11 N ATOM 0 H LYS A 80 40.393 -4.609 14.930 1.00 53.32 H new ATOM 0 HA LYS A 80 42.700 -3.028 15.908 1.00 70.11 H new ATOM 0 HB2 LYS A 80 42.403 -5.844 15.180 1.00 35.32 H new ATOM 0 HB3 LYS A 80 43.597 -5.058 14.166 1.00 35.32 H new ATOM 0 HG2 LYS A 80 44.684 -6.020 16.118 1.00 44.14 H new ATOM 0 HG3 LYS A 80 44.806 -4.273 16.180 1.00 44.14 H new ATOM 0 HD2 LYS A 80 43.696 -4.190 18.140 1.00 75.01 H new ATOM 0 HD3 LYS A 80 42.358 -5.114 17.488 1.00 75.01 H new ATOM 0 HE2 LYS A 80 43.292 -6.340 19.359 1.00 11.14 H new ATOM 0 HE3 LYS A 80 43.642 -7.225 17.888 1.00 11.14 H new ATOM 0 HZ1 LYS A 80 45.558 -7.062 19.392 1.00 62.11 H new ATOM 0 HZ2 LYS A 80 45.875 -6.355 17.881 1.00 62.11 H new ATOM 0 HZ3 LYS A 80 45.550 -5.372 19.227 1.00 62.11 H new ATOM 1206 N THR A 81 41.390 -3.390 12.926 1.00 11.11 N ATOM 1207 CA THR A 81 41.325 -2.810 11.590 1.00 24.54 C ATOM 1208 C THR A 81 40.933 -1.339 11.648 1.00 1.40 C ATOM 1209 O THR A 81 41.679 -0.455 11.224 1.00 72.53 O ATOM 1210 CB THR A 81 40.320 -3.564 10.699 1.00 14.44 C ATOM 1211 OG1 THR A 81 39.684 -4.605 11.450 1.00 40.54 O ATOM 1212 CG2 THR A 81 41.014 -4.159 9.484 1.00 53.03 C ATOM 0 H THR A 81 40.677 -4.094 13.115 1.00 11.11 H new ATOM 0 HA THR A 81 42.321 -2.900 11.157 1.00 24.54 H new ATOM 0 HB THR A 81 39.568 -2.853 10.356 1.00 14.44 H new ATOM 0 HG1 THR A 81 39.868 -5.471 11.029 1.00 40.54 H new ATOM 0 HG21 THR A 81 40.284 -4.686 8.870 1.00 53.03 H new ATOM 0 HG22 THR A 81 41.471 -3.361 8.899 1.00 53.03 H new ATOM 0 HG23 THR A 81 41.785 -4.857 9.811 1.00 53.03 H new ATOM 1220 N PRO A 82 39.735 -1.065 12.186 1.00 62.22 N ATOM 1221 CA PRO A 82 39.217 0.300 12.313 1.00 45.43 C ATOM 1222 C PRO A 82 39.979 1.115 13.353 1.00 64.14 C ATOM 1223 O PRO A 82 39.993 2.344 13.302 1.00 11.23 O ATOM 1224 CB PRO A 82 37.767 0.090 12.756 1.00 44.24 C ATOM 1225 CG PRO A 82 37.766 -1.238 13.430 1.00 70.21 C ATOM 1226 CD PRO A 82 38.794 -2.068 12.712 1.00 70.12 C ATOM 0 HA PRO A 82 39.316 0.861 11.384 1.00 45.43 H new ATOM 0 HB2 PRO A 82 37.442 0.879 13.435 1.00 44.24 H new ATOM 0 HB3 PRO A 82 37.087 0.102 11.904 1.00 44.24 H new ATOM 0 HG2 PRO A 82 38.013 -1.139 14.487 1.00 70.21 H new ATOM 0 HG3 PRO A 82 36.782 -1.703 13.375 1.00 70.21 H new ATOM 0 HD2 PRO A 82 39.288 -2.768 13.386 1.00 70.12 H new ATOM 0 HD3 PRO A 82 38.347 -2.658 11.912 1.00 70.12 H new ATOM 1234 N GLU A 83 40.612 0.421 14.293 1.00 4.14 N ATOM 1235 CA GLU A 83 41.376 1.082 15.345 1.00 22.12 C ATOM 1236 C GLU A 83 42.705 1.605 14.806 1.00 32.53 C ATOM 1237 O GLU A 83 43.070 2.756 15.039 1.00 51.43 O ATOM 1238 CB GLU A 83 41.628 0.117 16.506 1.00 42.31 C ATOM 1239 CG GLU A 83 41.800 0.811 17.847 1.00 32.41 C ATOM 1240 CD GLU A 83 43.158 0.550 18.469 1.00 31.31 C ATOM 1241 OE1 GLU A 83 43.457 -0.626 18.768 1.00 11.50 O ATOM 1242 OE2 GLU A 83 43.921 1.520 18.657 1.00 23.21 O ATOM 0 H GLU A 83 40.611 -0.598 14.348 1.00 4.14 H new ATOM 0 HA GLU A 83 40.792 1.929 15.706 1.00 22.12 H new ATOM 0 HB2 GLU A 83 40.795 -0.583 16.573 1.00 42.31 H new ATOM 0 HB3 GLU A 83 42.522 -0.470 16.293 1.00 42.31 H new ATOM 0 HG2 GLU A 83 41.665 1.885 17.716 1.00 32.41 H new ATOM 0 HG3 GLU A 83 41.021 0.472 18.530 1.00 32.41 H new ATOM 1249 N GLU A 84 43.423 0.748 14.086 1.00 14.21 N ATOM 1250 CA GLU A 84 44.711 1.123 13.516 1.00 41.24 C ATOM 1251 C GLU A 84 44.528 2.069 12.333 1.00 54.45 C ATOM 1252 O GLU A 84 45.340 2.968 12.110 1.00 40.13 O ATOM 1253 CB GLU A 84 45.480 -0.123 13.071 1.00 35.25 C ATOM 1254 CG GLU A 84 46.983 -0.012 13.264 1.00 34.41 C ATOM 1255 CD GLU A 84 47.733 0.096 11.951 1.00 53.03 C ATOM 1256 OE1 GLU A 84 47.910 -0.943 11.281 1.00 44.41 O ATOM 1257 OE2 GLU A 84 48.142 1.221 11.593 1.00 73.41 O ATOM 0 H GLU A 84 43.134 -0.209 13.884 1.00 14.21 H new ATOM 0 HA GLU A 84 45.283 1.639 14.287 1.00 41.24 H new ATOM 0 HB2 GLU A 84 45.113 -0.985 13.629 1.00 35.25 H new ATOM 0 HB3 GLU A 84 45.270 -0.312 12.018 1.00 35.25 H new ATOM 0 HG2 GLU A 84 47.203 0.862 13.877 1.00 34.41 H new ATOM 0 HG3 GLU A 84 47.341 -0.884 13.812 1.00 34.41 H new ATOM 1264 N LEU A 85 43.455 1.861 11.577 1.00 64.44 N ATOM 1265 CA LEU A 85 43.164 2.694 10.415 1.00 30.12 C ATOM 1266 C LEU A 85 42.620 4.053 10.843 1.00 54.11 C ATOM 1267 O LEU A 85 42.876 5.068 10.196 1.00 70.51 O ATOM 1268 CB LEU A 85 42.158 1.994 9.500 1.00 32.20 C ATOM 1269 CG LEU A 85 41.961 2.617 8.118 1.00 50.13 C ATOM 1270 CD1 LEU A 85 43.165 2.341 7.231 1.00 4.12 C ATOM 1271 CD2 LEU A 85 40.688 2.090 7.471 1.00 24.41 C ATOM 0 H LEU A 85 42.772 1.123 11.748 1.00 64.44 H new ATOM 0 HA LEU A 85 44.094 2.851 9.869 1.00 30.12 H new ATOM 0 HB2 LEU A 85 42.476 0.960 9.368 1.00 32.20 H new ATOM 0 HB3 LEU A 85 41.193 1.969 10.006 1.00 32.20 H new ATOM 0 HG LEU A 85 41.864 3.696 8.238 1.00 50.13 H new ATOM 0 HD11 LEU A 85 43.006 2.792 6.252 1.00 4.12 H new ATOM 0 HD12 LEU A 85 44.058 2.768 7.687 1.00 4.12 H new ATOM 0 HD13 LEU A 85 43.295 1.265 7.118 1.00 4.12 H new ATOM 0 HD21 LEU A 85 40.564 2.545 6.488 1.00 24.41 H new ATOM 0 HD22 LEU A 85 40.755 1.007 7.364 1.00 24.41 H new ATOM 0 HD23 LEU A 85 39.831 2.340 8.097 1.00 24.41 H new ATOM 1283 N GLY A 86 41.868 4.065 11.940 1.00 53.44 N ATOM 1284 CA GLY A 86 41.301 5.305 12.436 1.00 12.54 C ATOM 1285 C GLY A 86 42.250 6.050 13.354 1.00 12.14 C ATOM 1286 O GLY A 86 42.601 7.200 13.094 1.00 44.25 O ATOM 0 H GLY A 86 41.642 3.239 12.493 1.00 53.44 H new ATOM 0 HA2 GLY A 86 41.039 5.944 11.593 1.00 12.54 H new ATOM 0 HA3 GLY A 86 40.376 5.090 12.972 1.00 12.54 H new ATOM 1290 N MET A 87 42.664 5.394 14.433 1.00 21.41 N ATOM 1291 CA MET A 87 43.578 6.002 15.393 1.00 31.32 C ATOM 1292 C MET A 87 42.938 7.216 16.059 1.00 60.20 C ATOM 1293 O MET A 87 43.546 8.283 16.139 1.00 70.41 O ATOM 1294 CB MET A 87 44.880 6.412 14.702 1.00 74.43 C ATOM 1295 CG MET A 87 45.483 5.313 13.841 1.00 13.03 C ATOM 1296 SD MET A 87 47.234 5.578 13.503 1.00 53.43 S ATOM 1297 CE MET A 87 47.963 4.207 14.395 1.00 74.12 C ATOM 0 H MET A 87 42.381 4.442 14.664 1.00 21.41 H new ATOM 0 HA MET A 87 43.801 5.263 16.162 1.00 31.32 H new ATOM 0 HB2 MET A 87 44.692 7.287 14.080 1.00 74.43 H new ATOM 0 HB3 MET A 87 45.606 6.709 15.459 1.00 74.43 H new ATOM 0 HG2 MET A 87 45.355 4.353 14.341 1.00 13.03 H new ATOM 0 HG3 MET A 87 44.939 5.256 12.898 1.00 13.03 H new ATOM 0 HE1 MET A 87 49.047 4.234 14.281 1.00 74.12 H new ATOM 0 HE2 MET A 87 47.707 4.283 15.452 1.00 74.12 H new ATOM 0 HE3 MET A 87 47.580 3.268 13.996 1.00 74.12 H new ATOM 1307 N GLU A 88 41.708 7.045 16.535 1.00 44.15 N ATOM 1308 CA GLU A 88 40.987 8.128 17.192 1.00 2.51 C ATOM 1309 C GLU A 88 39.927 7.579 18.142 1.00 60.50 C ATOM 1310 O GLU A 88 39.545 6.411 18.054 1.00 2.43 O ATOM 1311 CB GLU A 88 40.332 9.040 16.152 1.00 23.01 C ATOM 1312 CG GLU A 88 40.008 10.428 16.677 1.00 5.44 C ATOM 1313 CD GLU A 88 39.735 11.423 15.566 1.00 13.42 C ATOM 1314 OE1 GLU A 88 39.037 11.054 14.598 1.00 21.34 O ATOM 1315 OE2 GLU A 88 40.218 12.571 15.664 1.00 33.40 O ATOM 0 H GLU A 88 41.191 6.168 16.478 1.00 44.15 H new ATOM 0 HA GLU A 88 41.705 8.708 17.772 1.00 2.51 H new ATOM 0 HB2 GLU A 88 40.996 9.132 15.292 1.00 23.01 H new ATOM 0 HB3 GLU A 88 39.414 8.572 15.797 1.00 23.01 H new ATOM 0 HG2 GLU A 88 39.138 10.371 17.331 1.00 5.44 H new ATOM 0 HG3 GLU A 88 40.840 10.786 17.284 1.00 5.44 H new ATOM 1322 N ASP A 89 39.457 8.427 19.049 1.00 14.31 N ATOM 1323 CA ASP A 89 38.440 8.028 20.016 1.00 63.24 C ATOM 1324 C ASP A 89 37.039 8.280 19.467 1.00 65.12 C ATOM 1325 O ASP A 89 36.073 8.373 20.224 1.00 40.42 O ATOM 1326 CB ASP A 89 38.631 8.786 21.330 1.00 35.45 C ATOM 1327 CG ASP A 89 38.852 10.270 21.116 1.00 23.03 C ATOM 1328 OD1 ASP A 89 38.301 10.818 20.138 1.00 21.53 O ATOM 1329 OD2 ASP A 89 39.576 10.884 21.927 1.00 2.31 O ATOM 0 H ASP A 89 39.764 9.396 19.136 1.00 14.31 H new ATOM 0 HA ASP A 89 38.550 6.960 20.203 1.00 63.24 H new ATOM 0 HB2 ASP A 89 37.754 8.640 21.961 1.00 35.45 H new ATOM 0 HB3 ASP A 89 39.483 8.368 21.866 1.00 35.45 H new ATOM 1334 N ASP A 90 36.938 8.390 18.147 1.00 52.11 N ATOM 1335 CA ASP A 90 35.655 8.632 17.496 1.00 22.33 C ATOM 1336 C ASP A 90 35.384 7.582 16.423 1.00 30.23 C ATOM 1337 O ASP A 90 34.930 7.905 15.325 1.00 25.03 O ATOM 1338 CB ASP A 90 35.628 10.030 16.878 1.00 44.14 C ATOM 1339 CG ASP A 90 35.921 11.118 17.892 1.00 22.13 C ATOM 1340 OD1 ASP A 90 35.541 10.949 19.069 1.00 34.43 O ATOM 1341 OD2 ASP A 90 36.530 12.139 17.509 1.00 21.11 O ATOM 0 H ASP A 90 37.729 8.316 17.507 1.00 52.11 H new ATOM 0 HA ASP A 90 34.873 8.563 18.252 1.00 22.33 H new ATOM 0 HB2 ASP A 90 36.360 10.082 16.072 1.00 44.14 H new ATOM 0 HB3 ASP A 90 34.650 10.208 16.432 1.00 44.14 H new ATOM 1346 N ASP A 91 35.666 6.325 16.748 1.00 35.11 N ATOM 1347 CA ASP A 91 35.452 5.227 15.812 1.00 1.12 C ATOM 1348 C ASP A 91 33.968 4.893 15.696 1.00 41.12 C ATOM 1349 O ASP A 91 33.359 4.388 16.639 1.00 70.43 O ATOM 1350 CB ASP A 91 36.233 3.990 16.258 1.00 73.31 C ATOM 1351 CG ASP A 91 36.056 2.821 15.309 1.00 62.14 C ATOM 1352 OD1 ASP A 91 35.520 3.032 14.201 1.00 75.34 O ATOM 1353 OD2 ASP A 91 36.455 1.695 15.673 1.00 5.42 O ATOM 0 H ASP A 91 36.043 6.041 17.652 1.00 35.11 H new ATOM 0 HA ASP A 91 35.812 5.541 14.832 1.00 1.12 H new ATOM 0 HB2 ASP A 91 37.292 4.239 16.330 1.00 73.31 H new ATOM 0 HB3 ASP A 91 35.906 3.697 17.256 1.00 73.31 H new ATOM 1358 N VAL A 92 33.392 5.180 14.533 1.00 55.10 N ATOM 1359 CA VAL A 92 31.979 4.910 14.293 1.00 50.31 C ATOM 1360 C VAL A 92 31.798 3.734 13.340 1.00 3.01 C ATOM 1361 O VAL A 92 32.633 3.496 12.467 1.00 61.03 O ATOM 1362 CB VAL A 92 31.263 6.143 13.710 1.00 2.42 C ATOM 1363 CG1 VAL A 92 31.639 7.396 14.488 1.00 75.24 C ATOM 1364 CG2 VAL A 92 31.594 6.303 12.234 1.00 22.00 C ATOM 0 H VAL A 92 33.882 5.599 13.743 1.00 55.10 H new ATOM 0 HA VAL A 92 31.536 4.664 15.258 1.00 50.31 H new ATOM 0 HB VAL A 92 30.187 5.995 13.803 1.00 2.42 H new ATOM 0 HG11 VAL A 92 31.124 8.257 14.062 1.00 75.24 H new ATOM 0 HG12 VAL A 92 31.347 7.278 15.531 1.00 75.24 H new ATOM 0 HG13 VAL A 92 32.716 7.552 14.428 1.00 75.24 H new ATOM 0 HG21 VAL A 92 31.080 7.179 11.839 1.00 22.00 H new ATOM 0 HG22 VAL A 92 32.670 6.429 12.114 1.00 22.00 H new ATOM 0 HG23 VAL A 92 31.270 5.416 11.690 1.00 22.00 H new ATOM 1374 N ILE A 93 30.703 3.002 13.514 1.00 62.12 N ATOM 1375 CA ILE A 93 30.412 1.851 12.668 1.00 63.00 C ATOM 1376 C ILE A 93 28.910 1.680 12.470 1.00 50.23 C ATOM 1377 O ILE A 93 28.156 1.555 13.435 1.00 3.52 O ATOM 1378 CB ILE A 93 30.991 0.554 13.264 1.00 72.13 C ATOM 1379 CG1 ILE A 93 30.624 0.439 14.745 1.00 42.32 C ATOM 1380 CG2 ILE A 93 32.501 0.515 13.082 1.00 73.14 C ATOM 1381 CD1 ILE A 93 30.196 -0.952 15.155 1.00 33.13 C ATOM 0 H ILE A 93 30.003 3.185 14.233 1.00 62.12 H new ATOM 0 HA ILE A 93 30.884 2.041 11.704 1.00 63.00 H new ATOM 0 HB ILE A 93 30.559 -0.296 12.735 1.00 72.13 H new ATOM 0 HG12 ILE A 93 31.481 0.739 15.348 1.00 42.32 H new ATOM 0 HG13 ILE A 93 29.818 1.139 14.967 1.00 42.32 H new ATOM 0 HG21 ILE A 93 32.895 -0.408 13.508 1.00 73.14 H new ATOM 0 HG22 ILE A 93 32.741 0.555 12.019 1.00 73.14 H new ATOM 0 HG23 ILE A 93 32.951 1.369 13.588 1.00 73.14 H new ATOM 0 HD11 ILE A 93 29.951 -0.959 16.217 1.00 33.13 H new ATOM 0 HD12 ILE A 93 29.320 -1.248 14.578 1.00 33.13 H new ATOM 0 HD13 ILE A 93 31.009 -1.653 14.965 1.00 33.13 H new ATOM 1393 N ASP A 94 28.482 1.674 11.212 1.00 31.12 N ATOM 1394 CA ASP A 94 27.069 1.515 10.886 1.00 3.32 C ATOM 1395 C ASP A 94 26.773 0.088 10.435 1.00 14.53 C ATOM 1396 O ASP A 94 27.220 -0.343 9.373 1.00 12.20 O ATOM 1397 CB ASP A 94 26.662 2.504 9.793 1.00 42.13 C ATOM 1398 CG ASP A 94 25.160 2.691 9.712 1.00 51.25 C ATOM 1399 OD1 ASP A 94 24.434 1.675 9.716 1.00 71.12 O ATOM 1400 OD2 ASP A 94 24.710 3.854 9.645 1.00 41.14 O ATOM 0 H ASP A 94 29.093 1.777 10.402 1.00 31.12 H new ATOM 0 HA ASP A 94 26.488 1.720 11.785 1.00 3.32 H new ATOM 0 HB2 ASP A 94 27.135 3.467 9.984 1.00 42.13 H new ATOM 0 HB3 ASP A 94 27.034 2.151 8.831 1.00 42.13 H new ATOM 1405 N ALA A 95 26.017 -0.639 11.251 1.00 74.32 N ATOM 1406 CA ALA A 95 25.660 -2.017 10.935 1.00 14.23 C ATOM 1407 C ALA A 95 24.531 -2.071 9.911 1.00 45.23 C ATOM 1408 O ALA A 95 23.427 -1.590 10.164 1.00 44.24 O ATOM 1409 CB ALA A 95 25.262 -2.762 12.201 1.00 52.11 C ATOM 0 H ALA A 95 25.640 -0.297 12.135 1.00 74.32 H new ATOM 0 HA ALA A 95 26.534 -2.502 10.500 1.00 14.23 H new ATOM 0 HB1 ALA A 95 24.998 -3.789 11.951 1.00 52.11 H new ATOM 0 HB2 ALA A 95 26.098 -2.762 12.901 1.00 52.11 H new ATOM 0 HB3 ALA A 95 24.405 -2.268 12.659 1.00 52.11 H new ATOM 1415 N MET A 96 24.817 -2.658 8.753 1.00 21.55 N ATOM 1416 CA MET A 96 23.825 -2.775 7.691 1.00 62.22 C ATOM 1417 C MET A 96 23.588 -4.237 7.326 1.00 23.33 C ATOM 1418 O MET A 96 24.462 -5.084 7.514 1.00 2.35 O ATOM 1419 CB MET A 96 24.277 -1.996 6.454 1.00 2.02 C ATOM 1420 CG MET A 96 23.781 -0.560 6.426 1.00 54.41 C ATOM 1421 SD MET A 96 25.126 0.640 6.393 1.00 44.01 S ATOM 1422 CE MET A 96 24.331 2.018 5.570 1.00 64.02 C ATOM 0 H MET A 96 25.727 -3.060 8.527 1.00 21.55 H new ATOM 0 HA MET A 96 22.888 -2.354 8.056 1.00 62.22 H new ATOM 0 HB2 MET A 96 25.366 -1.996 6.412 1.00 2.02 H new ATOM 0 HB3 MET A 96 23.924 -2.511 5.561 1.00 2.02 H new ATOM 0 HG2 MET A 96 23.149 -0.415 5.550 1.00 54.41 H new ATOM 0 HG3 MET A 96 23.158 -0.378 7.302 1.00 54.41 H new ATOM 0 HE1 MET A 96 25.038 2.842 5.475 1.00 64.02 H new ATOM 0 HE2 MET A 96 24.000 1.708 4.579 1.00 64.02 H new ATOM 0 HE3 MET A 96 23.471 2.344 6.155 1.00 64.02 H new ATOM 1432 N VAL A 97 22.401 -4.528 6.804 1.00 12.42 N ATOM 1433 CA VAL A 97 22.050 -5.887 6.413 1.00 74.53 C ATOM 1434 C VAL A 97 22.573 -6.210 5.018 1.00 62.42 C ATOM 1435 O VAL A 97 22.060 -5.705 4.020 1.00 63.31 O ATOM 1436 CB VAL A 97 20.525 -6.103 6.439 1.00 32.24 C ATOM 1437 CG1 VAL A 97 20.189 -7.570 6.218 1.00 31.13 C ATOM 1438 CG2 VAL A 97 19.940 -5.606 7.753 1.00 52.24 C ATOM 0 H VAL A 97 21.666 -3.840 6.642 1.00 12.42 H new ATOM 0 HA VAL A 97 22.517 -6.555 7.137 1.00 74.53 H new ATOM 0 HB VAL A 97 20.080 -5.527 5.628 1.00 32.24 H new ATOM 0 HG11 VAL A 97 19.107 -7.703 6.240 1.00 31.13 H new ATOM 0 HG12 VAL A 97 20.574 -7.890 5.250 1.00 31.13 H new ATOM 0 HG13 VAL A 97 20.644 -8.170 7.006 1.00 31.13 H new ATOM 0 HG21 VAL A 97 18.862 -5.766 7.755 1.00 52.24 H new ATOM 0 HG22 VAL A 97 20.390 -6.153 8.582 1.00 52.24 H new ATOM 0 HG23 VAL A 97 20.149 -4.542 7.865 1.00 52.24 H new ATOM 1448 N GLU A 98 23.597 -7.056 4.957 1.00 44.30 N ATOM 1449 CA GLU A 98 24.191 -7.446 3.683 1.00 14.42 C ATOM 1450 C GLU A 98 24.410 -8.955 3.624 1.00 15.33 C ATOM 1451 O GLU A 98 25.463 -9.422 3.193 1.00 71.30 O ATOM 1452 CB GLU A 98 25.519 -6.718 3.470 1.00 5.31 C ATOM 1453 CG GLU A 98 25.362 -5.232 3.193 1.00 2.04 C ATOM 1454 CD GLU A 98 26.647 -4.590 2.706 1.00 34.10 C ATOM 1455 OE1 GLU A 98 27.492 -5.313 2.139 1.00 25.30 O ATOM 1456 OE2 GLU A 98 26.806 -3.366 2.892 1.00 42.35 O ATOM 0 H GLU A 98 24.032 -7.484 5.774 1.00 44.30 H new ATOM 0 HA GLU A 98 23.500 -7.165 2.888 1.00 14.42 H new ATOM 0 HB2 GLU A 98 26.142 -6.850 4.355 1.00 5.31 H new ATOM 0 HB3 GLU A 98 26.047 -7.180 2.636 1.00 5.31 H new ATOM 0 HG2 GLU A 98 24.582 -5.086 2.446 1.00 2.04 H new ATOM 0 HG3 GLU A 98 25.031 -4.730 4.102 1.00 2.04 H new ATOM 1463 N GLN A 99 23.407 -9.710 4.062 1.00 52.44 N ATOM 1464 CA GLN A 99 23.490 -11.165 4.060 1.00 62.32 C ATOM 1465 C GLN A 99 22.828 -11.747 2.815 1.00 23.01 C ATOM 1466 O GLN A 99 22.188 -12.798 2.872 1.00 3.30 O ATOM 1467 CB GLN A 99 22.831 -11.736 5.317 1.00 62.54 C ATOM 1468 CG GLN A 99 23.551 -12.950 5.883 1.00 74.02 C ATOM 1469 CD GLN A 99 22.655 -14.170 5.974 1.00 12.52 C ATOM 1470 OE1 GLN A 99 21.659 -14.170 6.698 1.00 12.43 O ATOM 1471 NE2 GLN A 99 23.005 -15.218 5.238 1.00 14.12 N ATOM 0 H GLN A 99 22.528 -9.338 4.422 1.00 52.44 H new ATOM 0 HA GLN A 99 24.544 -11.444 4.052 1.00 62.32 H new ATOM 0 HB2 GLN A 99 22.790 -10.959 6.081 1.00 62.54 H new ATOM 0 HB3 GLN A 99 21.802 -12.010 5.085 1.00 62.54 H new ATOM 0 HG2 GLN A 99 24.412 -13.182 5.256 1.00 74.02 H new ATOM 0 HG3 GLN A 99 23.934 -12.711 6.875 1.00 74.02 H new ATOM 0 HE21 GLN A 99 23.839 -15.174 4.652 1.00 14.12 H new ATOM 0 HE22 GLN A 99 22.440 -16.067 5.258 1.00 14.12 H new ATOM 1480 N THR A 100 22.986 -11.057 1.690 1.00 72.04 N ATOM 1481 CA THR A 100 22.402 -11.504 0.431 1.00 4.11 C ATOM 1482 C THR A 100 23.125 -12.735 -0.104 1.00 5.33 C ATOM 1483 O THR A 100 24.353 -12.804 -0.080 1.00 65.33 O ATOM 1484 CB THR A 100 22.447 -10.393 -0.635 1.00 10.33 C ATOM 1485 OG1 THR A 100 23.352 -9.360 -0.229 1.00 24.44 O ATOM 1486 CG2 THR A 100 21.063 -9.802 -0.858 1.00 43.53 C ATOM 0 H THR A 100 23.513 -10.186 1.625 1.00 72.04 H new ATOM 0 HA THR A 100 21.362 -11.758 0.637 1.00 4.11 H new ATOM 0 HB THR A 100 22.794 -10.832 -1.571 1.00 10.33 H new ATOM 0 HG1 THR A 100 24.253 -9.734 -0.132 1.00 24.44 H new ATOM 0 HG21 THR A 100 21.119 -9.020 -1.615 1.00 43.53 H new ATOM 0 HG22 THR A 100 20.383 -10.585 -1.195 1.00 43.53 H new ATOM 0 HG23 THR A 100 20.694 -9.378 0.076 1.00 43.53 H new ATOM 1494 N GLY A 101 22.355 -13.705 -0.587 1.00 1.12 N ATOM 1495 CA GLY A 101 22.941 -14.920 -1.121 1.00 73.35 C ATOM 1496 C GLY A 101 22.251 -15.388 -2.387 1.00 74.14 C ATOM 1497 O GLY A 101 22.347 -14.743 -3.430 1.00 45.33 O ATOM 0 H GLY A 101 21.336 -13.671 -0.618 1.00 1.12 H new ATOM 0 HA2 GLY A 101 23.997 -14.750 -1.328 1.00 73.35 H new ATOM 0 HA3 GLY A 101 22.887 -15.707 -0.369 1.00 73.35 H new ATOM 1501 N GLY A 102 21.552 -16.516 -2.297 1.00 64.11 N ATOM 1502 CA GLY A 102 20.855 -17.052 -3.452 1.00 3.52 C ATOM 1503 C GLY A 102 19.494 -17.615 -3.097 1.00 74.21 C ATOM 1504 O GLY A 102 18.792 -17.071 -2.244 1.00 42.04 O ATOM 0 H GLY A 102 21.456 -17.068 -1.445 1.00 64.11 H new ATOM 0 HA2 GLY A 102 20.736 -16.266 -4.198 1.00 3.52 H new ATOM 0 HA3 GLY A 102 21.461 -17.835 -3.907 1.00 3.52 H new TER 1508 GLY A 102