USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 661 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 79 ASN : amide:sc= -0.0126 X(o=-0.0084,f=-0.35) USER MOD Set 1.2: A 83 THR OG1 : rot 120:sc= 0.0042 USER MOD Set 2.1: A 20 ASN : amide:sc= -5.34! C(o=-5.9!,f=-6.9!) USER MOD Set 2.2: A 66 TYR OH : rot 166:sc= -0.518 USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 62 SER OG : rot -170:sc= -0.1 USER MOD Set 4.1: A 32 ASN : amide:sc= -0.231 K(o=-0.26,f=-1.6) USER MOD Set 4.2: A 41 THR OG1 : rot -150:sc= -0.813 USER MOD Set 4.3: A 44 LYS NZ :NH3+ -131:sc= 0.78 (180deg=-0.92) USER MOD Set 5.1: A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -46:sc= 1.2 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.00155 K(o=0.0016,f=-1.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.94) USER MOD Single : A 33 THR OG1 : rot 94:sc= 1.19 USER MOD Single : A 35 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.56) USER MOD Single : A 38 SER OG : rot 180:sc= -0.242 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0376 K(o=-0.038,f=-0.7) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -31:sc= -0.406! USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= -0.018 (180deg=-0.0823) USER MOD Single : A 64 LYS NZ :NH3+ -139:sc= -0.0617 (180deg=-0.488) USER MOD Single : A 67 MET CE :methyl -167:sc=-0.00408 (180deg=-0.235) USER MOD Single : A 69 SER OG : rot 74:sc= 1.32 USER MOD Single : A 70 MET CE :methyl -166:sc= 0 (180deg=-0.0184) USER MOD Single : A 71 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -176:sc= 0 (180deg=-0.012) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 109:sc= 0.149 USER MOD Single : A 82 ASN : amide:sc= -0.0963 X(o=-0.096,f=-0.099) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.14) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 6 1.955 0.370 -0.542 1.00 12.14 N ATOM 2 CA VAL A 6 2.888 0.579 -1.642 1.00 72.34 C ATOM 3 C VAL A 6 2.233 1.357 -2.778 1.00 32.00 C ATOM 4 O VAL A 6 2.830 2.276 -3.338 1.00 13.01 O ATOM 5 CB VAL A 6 3.417 -0.760 -2.191 1.00 2.24 C ATOM 6 CG1 VAL A 6 4.598 -1.246 -1.364 1.00 32.00 C ATOM 7 CG2 VAL A 6 2.308 -1.801 -2.215 1.00 43.14 C ATOM 0 HA VAL A 6 3.723 1.156 -1.244 1.00 72.34 H new ATOM 0 HB VAL A 6 3.760 -0.604 -3.214 1.00 2.24 H new ATOM 0 HG11 VAL A 6 4.959 -2.193 -1.766 1.00 32.00 H new ATOM 0 HG12 VAL A 6 5.398 -0.507 -1.403 1.00 32.00 H new ATOM 0 HG13 VAL A 6 4.284 -1.387 -0.330 1.00 32.00 H new ATOM 0 HG21 VAL A 6 2.699 -2.740 -2.606 1.00 43.14 H new ATOM 0 HG22 VAL A 6 1.933 -1.957 -1.203 1.00 43.14 H new ATOM 0 HG23 VAL A 6 1.496 -1.453 -2.853 1.00 43.14 H new ATOM 17 N GLN A 7 1.002 0.982 -3.112 1.00 0.52 N ATOM 18 CA GLN A 7 0.266 1.646 -4.181 1.00 71.04 C ATOM 19 C GLN A 7 -1.236 1.591 -3.924 1.00 33.31 C ATOM 20 O GLN A 7 -1.940 2.589 -4.079 1.00 42.04 O ATOM 21 CB GLN A 7 0.588 0.998 -5.529 1.00 44.31 C ATOM 22 CG GLN A 7 2.078 0.882 -5.807 1.00 44.12 C ATOM 23 CD GLN A 7 2.374 0.219 -7.138 1.00 53.22 C ATOM 24 OE1 GLN A 7 3.146 0.738 -7.945 1.00 71.42 O ATOM 25 NE2 GLN A 7 1.759 -0.934 -7.375 1.00 23.03 N ATOM 0 H GLN A 7 0.494 0.223 -2.658 1.00 0.52 H new ATOM 0 HA GLN A 7 0.574 2.691 -4.205 1.00 71.04 H new ATOM 0 HB2 GLN A 7 0.142 0.004 -5.561 1.00 44.31 H new ATOM 0 HB3 GLN A 7 0.123 1.581 -6.324 1.00 44.31 H new ATOM 0 HG2 GLN A 7 2.525 1.876 -5.793 1.00 44.12 H new ATOM 0 HG3 GLN A 7 2.549 0.310 -5.008 1.00 44.12 H new ATOM 0 HE21 GLN A 7 1.127 -1.328 -6.678 1.00 23.03 H new ATOM 0 HE22 GLN A 7 1.918 -1.426 -8.254 1.00 23.03 H new ATOM 34 N ASP A 8 -1.721 0.418 -3.530 1.00 12.41 N ATOM 35 CA ASP A 8 -3.140 0.233 -3.250 1.00 33.00 C ATOM 36 C ASP A 8 -3.368 -0.061 -1.771 1.00 35.14 C ATOM 37 O ASP A 8 -4.407 0.288 -1.210 1.00 15.21 O ATOM 38 CB ASP A 8 -3.706 -0.905 -4.102 1.00 4.51 C ATOM 39 CG ASP A 8 -3.622 -0.612 -5.587 1.00 73.02 C ATOM 40 OD1 ASP A 8 -3.606 0.581 -5.957 1.00 72.23 O ATOM 41 OD2 ASP A 8 -3.572 -1.576 -6.379 1.00 53.23 O ATOM 0 H ASP A 8 -1.152 -0.418 -3.397 1.00 12.41 H new ATOM 0 HA ASP A 8 -3.658 1.158 -3.502 1.00 33.00 H new ATOM 0 HB2 ASP A 8 -3.161 -1.824 -3.884 1.00 4.51 H new ATOM 0 HB3 ASP A 8 -4.746 -1.078 -3.827 1.00 4.51 H new ATOM 46 N LYS A 9 -2.391 -0.707 -1.143 1.00 51.43 N ATOM 47 CA LYS A 9 -2.484 -1.048 0.271 1.00 23.31 C ATOM 48 C LYS A 9 -2.173 0.163 1.145 1.00 70.41 C ATOM 49 O LYS A 9 -2.692 0.289 2.254 1.00 53.30 O ATOM 50 CB LYS A 9 -1.523 -2.191 0.605 1.00 65.53 C ATOM 51 CG LYS A 9 -0.060 -1.834 0.405 1.00 62.11 C ATOM 52 CD LYS A 9 0.545 -1.235 1.664 1.00 71.33 C ATOM 53 CE LYS A 9 1.948 -1.766 1.915 1.00 70.10 C ATOM 54 NZ LYS A 9 2.042 -2.494 3.210 1.00 33.55 N ATOM 0 H LYS A 9 -1.525 -1.005 -1.592 1.00 51.43 H new ATOM 0 HA LYS A 9 -3.506 -1.368 0.475 1.00 23.31 H new ATOM 0 HB2 LYS A 9 -1.676 -2.492 1.641 1.00 65.53 H new ATOM 0 HB3 LYS A 9 -1.766 -3.053 -0.017 1.00 65.53 H new ATOM 0 HG2 LYS A 9 0.498 -2.726 0.121 1.00 62.11 H new ATOM 0 HG3 LYS A 9 0.033 -1.125 -0.418 1.00 62.11 H new ATOM 0 HD2 LYS A 9 0.577 -0.149 1.573 1.00 71.33 H new ATOM 0 HD3 LYS A 9 -0.091 -1.465 2.519 1.00 71.33 H new ATOM 0 HE2 LYS A 9 2.235 -2.433 1.102 1.00 70.10 H new ATOM 0 HE3 LYS A 9 2.656 -0.937 1.912 1.00 70.10 H new ATOM 0 HZ1 LYS A 9 3.014 -2.840 3.344 1.00 33.55 H new ATOM 0 HZ2 LYS A 9 1.793 -1.851 3.989 1.00 33.55 H new ATOM 0 HZ3 LYS A 9 1.385 -3.300 3.203 1.00 33.55 H new ATOM 68 N ASP A 10 -1.325 1.050 0.638 1.00 43.32 N ATOM 69 CA ASP A 10 -0.947 2.253 1.371 1.00 31.23 C ATOM 70 C ASP A 10 -2.075 3.280 1.349 1.00 70.41 C ATOM 71 O ASP A 10 -2.159 4.146 2.220 1.00 24.13 O ATOM 72 CB ASP A 10 0.324 2.860 0.777 1.00 44.42 C ATOM 73 CG ASP A 10 1.512 2.748 1.712 1.00 20.23 C ATOM 74 OD1 ASP A 10 2.005 1.618 1.913 1.00 34.41 O ATOM 75 OD2 ASP A 10 1.950 3.790 2.243 1.00 34.20 O ATOM 0 H ASP A 10 -0.886 0.959 -0.278 1.00 43.32 H new ATOM 0 HA ASP A 10 -0.756 1.972 2.407 1.00 31.23 H new ATOM 0 HB2 ASP A 10 0.557 2.360 -0.163 1.00 44.42 H new ATOM 0 HB3 ASP A 10 0.147 3.910 0.544 1.00 44.42 H new ATOM 80 N THR A 11 -2.941 3.178 0.346 1.00 75.13 N ATOM 81 CA THR A 11 -4.063 4.098 0.208 1.00 1.41 C ATOM 82 C THR A 11 -5.309 3.554 0.896 1.00 32.52 C ATOM 83 O THR A 11 -6.411 4.073 0.710 1.00 23.43 O ATOM 84 CB THR A 11 -4.386 4.372 -1.273 1.00 13.52 C ATOM 85 OG1 THR A 11 -5.462 5.312 -1.374 1.00 32.04 O ATOM 86 CG2 THR A 11 -4.761 3.085 -1.992 1.00 51.50 C ATOM 0 H THR A 11 -2.887 2.467 -0.383 1.00 75.13 H new ATOM 0 HA THR A 11 -3.766 5.031 0.686 1.00 1.41 H new ATOM 0 HB THR A 11 -3.496 4.787 -1.745 1.00 13.52 H new ATOM 0 HG1 THR A 11 -6.179 5.056 -0.757 1.00 32.04 H new ATOM 0 HG21 THR A 11 -4.985 3.304 -3.036 1.00 51.50 H new ATOM 0 HG22 THR A 11 -3.929 2.383 -1.939 1.00 51.50 H new ATOM 0 HG23 THR A 11 -5.638 2.645 -1.517 1.00 51.50 H new ATOM 94 N LEU A 12 -5.129 2.505 1.692 1.00 53.21 N ATOM 95 CA LEU A 12 -6.240 1.890 2.409 1.00 33.45 C ATOM 96 C LEU A 12 -6.914 2.896 3.337 1.00 24.12 C ATOM 97 O LEU A 12 -6.245 3.696 3.992 1.00 71.23 O ATOM 98 CB LEU A 12 -5.749 0.686 3.215 1.00 25.20 C ATOM 99 CG LEU A 12 -5.502 -0.597 2.421 1.00 25.40 C ATOM 100 CD1 LEU A 12 -4.904 -1.672 3.316 1.00 62.12 C ATOM 101 CD2 LEU A 12 -6.794 -1.088 1.785 1.00 20.32 C ATOM 0 H LEU A 12 -4.225 2.063 1.857 1.00 53.21 H new ATOM 0 HA LEU A 12 -6.972 1.554 1.674 1.00 33.45 H new ATOM 0 HB2 LEU A 12 -4.822 0.963 3.716 1.00 25.20 H new ATOM 0 HB3 LEU A 12 -6.481 0.472 3.994 1.00 25.20 H new ATOM 0 HG LEU A 12 -4.790 -0.378 1.626 1.00 25.40 H new ATOM 0 HD11 LEU A 12 -4.735 -2.578 2.734 1.00 62.12 H new ATOM 0 HD12 LEU A 12 -3.956 -1.320 3.723 1.00 62.12 H new ATOM 0 HD13 LEU A 12 -5.592 -1.889 4.133 1.00 62.12 H new ATOM 0 HD21 LEU A 12 -6.599 -2.002 1.224 1.00 20.32 H new ATOM 0 HD22 LEU A 12 -7.529 -1.290 2.564 1.00 20.32 H new ATOM 0 HD23 LEU A 12 -7.181 -0.324 1.111 1.00 20.32 H new ATOM 113 N SER A 13 -8.241 2.848 3.390 1.00 41.51 N ATOM 114 CA SER A 13 -9.005 3.757 4.236 1.00 13.05 C ATOM 115 C SER A 13 -9.424 3.069 5.532 1.00 1.24 C ATOM 116 O SER A 13 -9.158 1.885 5.733 1.00 3.13 O ATOM 117 CB SER A 13 -10.242 4.263 3.492 1.00 72.23 C ATOM 118 OG SER A 13 -9.999 4.348 2.098 1.00 32.52 O ATOM 0 H SER A 13 -8.809 2.189 2.857 1.00 41.51 H new ATOM 0 HA SER A 13 -8.367 4.605 4.484 1.00 13.05 H new ATOM 0 HB2 SER A 13 -11.081 3.593 3.678 1.00 72.23 H new ATOM 0 HB3 SER A 13 -10.525 5.243 3.875 1.00 72.23 H new ATOM 0 HG SER A 13 -10.805 4.672 1.645 1.00 32.52 H new ATOM 124 N ASN A 14 -10.081 3.822 6.409 1.00 70.12 N ATOM 125 CA ASN A 14 -10.537 3.286 7.686 1.00 4.14 C ATOM 126 C ASN A 14 -11.779 2.421 7.501 1.00 35.23 C ATOM 127 O ASN A 14 -12.084 1.568 8.334 1.00 21.42 O ATOM 128 CB ASN A 14 -10.835 4.425 8.663 1.00 14.04 C ATOM 129 CG ASN A 14 -12.133 5.140 8.339 1.00 61.21 C ATOM 130 OD1 ASN A 14 -12.359 5.553 7.202 1.00 51.24 O ATOM 131 ND2 ASN A 14 -12.993 5.289 9.340 1.00 24.50 N ATOM 0 H ASN A 14 -10.309 4.805 6.258 1.00 70.12 H new ATOM 0 HA ASN A 14 -9.741 2.664 8.096 1.00 4.14 H new ATOM 0 HB2 ASN A 14 -10.886 4.027 9.676 1.00 14.04 H new ATOM 0 HB3 ASN A 14 -10.014 5.142 8.643 1.00 14.04 H new ATOM 0 HD21 ASN A 14 -13.883 5.762 9.182 1.00 24.50 H new ATOM 0 HD22 ASN A 14 -12.764 4.930 10.267 1.00 24.50 H new ATOM 138 N ALA A 15 -12.493 2.647 6.403 1.00 11.23 N ATOM 139 CA ALA A 15 -13.701 1.887 6.107 1.00 30.01 C ATOM 140 C ALA A 15 -13.409 0.391 6.051 1.00 4.44 C ATOM 141 O ALA A 15 -14.067 -0.404 6.721 1.00 4.35 O ATOM 142 CB ALA A 15 -14.312 2.357 4.795 1.00 64.51 C ATOM 0 H ALA A 15 -12.255 3.351 5.704 1.00 11.23 H new ATOM 0 HA ALA A 15 -14.416 2.061 6.911 1.00 30.01 H new ATOM 0 HB1 ALA A 15 -15.213 1.781 4.586 1.00 64.51 H new ATOM 0 HB2 ALA A 15 -14.566 3.414 4.870 1.00 64.51 H new ATOM 0 HB3 ALA A 15 -13.594 2.213 3.987 1.00 64.51 H new ATOM 148 N GLU A 16 -12.418 0.016 5.248 1.00 53.11 N ATOM 149 CA GLU A 16 -12.041 -1.385 5.105 1.00 70.14 C ATOM 150 C GLU A 16 -11.725 -2.005 6.463 1.00 74.12 C ATOM 151 O GLU A 16 -11.914 -3.204 6.669 1.00 73.25 O ATOM 152 CB GLU A 16 -10.831 -1.518 4.177 1.00 32.34 C ATOM 153 CG GLU A 16 -11.025 -0.853 2.825 1.00 63.30 C ATOM 154 CD GLU A 16 -9.927 -1.204 1.840 1.00 65.11 C ATOM 155 OE1 GLU A 16 -9.438 -2.352 1.879 1.00 22.55 O ATOM 156 OE2 GLU A 16 -9.556 -0.329 1.029 1.00 32.40 O ATOM 0 H GLU A 16 -11.863 0.662 4.687 1.00 53.11 H new ATOM 0 HA GLU A 16 -12.885 -1.919 4.669 1.00 70.14 H new ATOM 0 HB2 GLU A 16 -9.960 -1.082 4.665 1.00 32.34 H new ATOM 0 HB3 GLU A 16 -10.615 -2.575 4.025 1.00 32.34 H new ATOM 0 HG2 GLU A 16 -11.988 -1.152 2.412 1.00 63.30 H new ATOM 0 HG3 GLU A 16 -11.057 0.228 2.957 1.00 63.30 H new ATOM 163 N ARG A 17 -11.243 -1.180 7.386 1.00 52.51 N ATOM 164 CA ARG A 17 -10.899 -1.646 8.724 1.00 74.14 C ATOM 165 C ARG A 17 -12.153 -2.032 9.504 1.00 62.35 C ATOM 166 O ARG A 17 -12.233 -3.123 10.068 1.00 10.44 O ATOM 167 CB ARG A 17 -10.127 -0.565 9.481 1.00 13.44 C ATOM 168 CG ARG A 17 -9.086 0.148 8.633 1.00 33.14 C ATOM 169 CD ARG A 17 -8.229 1.082 9.473 1.00 64.05 C ATOM 170 NE ARG A 17 -9.036 1.939 10.336 1.00 34.24 N ATOM 171 CZ ARG A 17 -8.531 2.678 11.318 1.00 55.35 C ATOM 172 NH1 ARG A 17 -7.228 2.666 11.558 1.00 44.13 N ATOM 173 NH2 ARG A 17 -9.331 3.433 12.061 1.00 73.54 N ATOM 0 H ARG A 17 -11.082 -0.185 7.232 1.00 52.51 H new ATOM 0 HA ARG A 17 -10.268 -2.529 8.623 1.00 74.14 H new ATOM 0 HB2 ARG A 17 -10.833 0.170 9.868 1.00 13.44 H new ATOM 0 HB3 ARG A 17 -9.634 -1.018 10.341 1.00 13.44 H new ATOM 0 HG2 ARG A 17 -8.450 -0.588 8.141 1.00 33.14 H new ATOM 0 HG3 ARG A 17 -9.583 0.716 7.847 1.00 33.14 H new ATOM 0 HD2 ARG A 17 -7.545 0.494 10.084 1.00 64.05 H new ATOM 0 HD3 ARG A 17 -7.618 1.701 8.817 1.00 64.05 H new ATOM 0 HE ARG A 17 -10.043 1.972 10.176 1.00 34.24 H new ATOM 0 HH11 ARG A 17 -6.610 2.088 10.988 1.00 44.13 H new ATOM 0 HH12 ARG A 17 -6.843 3.234 12.313 1.00 44.13 H new ATOM 0 HH21 ARG A 17 -10.334 3.446 11.878 1.00 73.54 H new ATOM 0 HH22 ARG A 17 -8.942 4.000 12.815 1.00 73.54 H new ATOM 187 N ALA A 18 -13.128 -1.130 9.530 1.00 33.11 N ATOM 188 CA ALA A 18 -14.378 -1.377 10.239 1.00 2.30 C ATOM 189 C ALA A 18 -15.150 -2.529 9.606 1.00 51.03 C ATOM 190 O ALA A 18 -15.772 -3.331 10.303 1.00 52.22 O ATOM 191 CB ALA A 18 -15.230 -0.116 10.261 1.00 60.44 C ATOM 0 H ALA A 18 -13.077 -0.222 9.069 1.00 33.11 H new ATOM 0 HA ALA A 18 -14.136 -1.657 11.264 1.00 2.30 H new ATOM 0 HB1 ALA A 18 -16.160 -0.315 10.793 1.00 60.44 H new ATOM 0 HB2 ALA A 18 -14.686 0.682 10.766 1.00 60.44 H new ATOM 0 HB3 ALA A 18 -15.455 0.189 9.239 1.00 60.44 H new ATOM 197 N LYS A 19 -15.107 -2.606 8.280 1.00 51.11 N ATOM 198 CA LYS A 19 -15.802 -3.660 7.551 1.00 32.43 C ATOM 199 C LYS A 19 -15.103 -5.003 7.738 1.00 3.11 C ATOM 200 O LYS A 19 -15.746 -6.016 8.010 1.00 2.32 O ATOM 201 CB LYS A 19 -15.877 -3.315 6.062 1.00 35.42 C ATOM 202 CG LYS A 19 -16.119 -4.521 5.170 1.00 3.30 C ATOM 203 CD LYS A 19 -17.015 -4.173 3.993 1.00 3.11 C ATOM 204 CE LYS A 19 -16.269 -3.359 2.947 1.00 53.14 C ATOM 205 NZ LYS A 19 -17.198 -2.558 2.102 1.00 71.12 N ATOM 0 H LYS A 19 -14.597 -1.950 7.688 1.00 51.11 H new ATOM 0 HA LYS A 19 -16.813 -3.738 7.951 1.00 32.43 H new ATOM 0 HB2 LYS A 19 -16.677 -2.591 5.905 1.00 35.42 H new ATOM 0 HB3 LYS A 19 -14.947 -2.832 5.762 1.00 35.42 H new ATOM 0 HG2 LYS A 19 -15.165 -4.900 4.803 1.00 3.30 H new ATOM 0 HG3 LYS A 19 -16.577 -5.320 5.753 1.00 3.30 H new ATOM 0 HD2 LYS A 19 -17.395 -5.089 3.540 1.00 3.11 H new ATOM 0 HD3 LYS A 19 -17.879 -3.610 4.346 1.00 3.11 H new ATOM 0 HE2 LYS A 19 -15.562 -2.693 3.441 1.00 53.14 H new ATOM 0 HE3 LYS A 19 -15.687 -4.028 2.313 1.00 53.14 H new ATOM 0 HZ1 LYS A 19 -16.651 -2.017 1.402 1.00 71.12 H new ATOM 0 HZ2 LYS A 19 -17.857 -3.195 1.610 1.00 71.12 H new ATOM 0 HZ3 LYS A 19 -17.735 -1.901 2.703 1.00 71.12 H new ATOM 219 N ASN A 20 -13.782 -5.002 7.591 1.00 23.34 N ATOM 220 CA ASN A 20 -12.995 -6.221 7.745 1.00 11.31 C ATOM 221 C ASN A 20 -13.265 -6.876 9.096 1.00 15.01 C ATOM 222 O ASN A 20 -13.578 -8.065 9.170 1.00 5.55 O ATOM 223 CB ASN A 20 -11.503 -5.910 7.606 1.00 74.43 C ATOM 224 CG ASN A 20 -10.635 -7.133 7.831 1.00 70.24 C ATOM 225 OD1 ASN A 20 -11.034 -8.257 7.522 1.00 4.55 O ATOM 226 ND2 ASN A 20 -9.441 -6.919 8.371 1.00 62.43 N ATOM 0 H ASN A 20 -13.234 -4.172 7.366 1.00 23.34 H new ATOM 0 HA ASN A 20 -13.290 -6.916 6.959 1.00 11.31 H new ATOM 0 HB2 ASN A 20 -11.309 -5.508 6.611 1.00 74.43 H new ATOM 0 HB3 ASN A 20 -11.228 -5.136 8.322 1.00 74.43 H new ATOM 0 HD21 ASN A 20 -8.812 -7.703 8.546 1.00 62.43 H new ATOM 0 HD22 ASN A 20 -9.152 -5.971 8.611 1.00 62.43 H new ATOM 233 N VAL A 21 -13.144 -6.092 10.163 1.00 71.12 N ATOM 234 CA VAL A 21 -13.377 -6.595 11.511 1.00 0.25 C ATOM 235 C VAL A 21 -14.813 -7.080 11.677 1.00 63.33 C ATOM 236 O VAL A 21 -15.061 -8.117 12.291 1.00 52.13 O ATOM 237 CB VAL A 21 -13.087 -5.515 12.571 1.00 64.21 C ATOM 238 CG1 VAL A 21 -13.551 -5.976 13.944 1.00 4.12 C ATOM 239 CG2 VAL A 21 -11.605 -5.171 12.588 1.00 50.45 C ATOM 0 H VAL A 21 -12.886 -5.106 10.119 1.00 71.12 H new ATOM 0 HA VAL A 21 -12.694 -7.432 11.658 1.00 0.25 H new ATOM 0 HB VAL A 21 -13.643 -4.615 12.309 1.00 64.21 H new ATOM 0 HG11 VAL A 21 -13.338 -5.200 14.679 1.00 4.12 H new ATOM 0 HG12 VAL A 21 -14.624 -6.168 13.920 1.00 4.12 H new ATOM 0 HG13 VAL A 21 -13.024 -6.890 14.218 1.00 4.12 H new ATOM 0 HG21 VAL A 21 -11.418 -4.407 13.342 1.00 50.45 H new ATOM 0 HG22 VAL A 21 -11.027 -6.064 12.825 1.00 50.45 H new ATOM 0 HG23 VAL A 21 -11.307 -4.795 11.609 1.00 50.45 H new ATOM 249 N ASN A 22 -15.755 -6.323 11.124 1.00 62.32 N ATOM 250 CA ASN A 22 -17.167 -6.676 11.210 1.00 72.42 C ATOM 251 C ASN A 22 -17.427 -8.039 10.575 1.00 60.12 C ATOM 252 O ASN A 22 -18.129 -8.876 11.141 1.00 52.31 O ATOM 253 CB ASN A 22 -18.024 -5.610 10.524 1.00 64.11 C ATOM 254 CG ASN A 22 -18.356 -4.453 11.447 1.00 63.41 C ATOM 255 OD1 ASN A 22 -17.527 -4.031 12.254 1.00 52.04 O ATOM 256 ND2 ASN A 22 -19.573 -3.936 11.332 1.00 51.31 N ATOM 0 H ASN A 22 -15.566 -5.461 10.612 1.00 62.32 H new ATOM 0 HA ASN A 22 -17.439 -6.728 12.264 1.00 72.42 H new ATOM 0 HB2 ASN A 22 -17.497 -5.233 9.648 1.00 64.11 H new ATOM 0 HB3 ASN A 22 -18.949 -6.065 10.168 1.00 64.11 H new ATOM 0 HD21 ASN A 22 -19.854 -3.156 11.927 1.00 51.31 H new ATOM 0 HD22 ASN A 22 -20.227 -4.318 10.649 1.00 51.31 H new ATOM 263 N GLY A 23 -16.854 -8.255 9.394 1.00 12.14 N ATOM 264 CA GLY A 23 -17.035 -9.517 8.702 1.00 61.31 C ATOM 265 C GLY A 23 -16.310 -10.661 9.383 1.00 33.21 C ATOM 266 O GLY A 23 -16.852 -11.760 9.514 1.00 55.51 O ATOM 0 H GLY A 23 -16.268 -7.578 8.905 1.00 12.14 H new ATOM 0 HA2 GLY A 23 -18.099 -9.747 8.646 1.00 61.31 H new ATOM 0 HA3 GLY A 23 -16.675 -9.421 7.678 1.00 61.31 H new ATOM 270 N LEU A 24 -15.081 -10.406 9.817 1.00 10.20 N ATOM 271 CA LEU A 24 -14.279 -11.424 10.487 1.00 13.44 C ATOM 272 C LEU A 24 -14.898 -11.809 11.827 1.00 32.02 C ATOM 273 O LEU A 24 -14.939 -12.986 12.189 1.00 54.13 O ATOM 274 CB LEU A 24 -12.851 -10.918 10.699 1.00 71.51 C ATOM 275 CG LEU A 24 -11.932 -10.973 9.478 1.00 30.31 C ATOM 276 CD1 LEU A 24 -10.613 -10.276 9.771 1.00 23.14 C ATOM 277 CD2 LEU A 24 -11.693 -12.415 9.055 1.00 62.40 C ATOM 0 H LEU A 24 -14.618 -9.503 9.717 1.00 10.20 H new ATOM 0 HA LEU A 24 -14.254 -12.309 9.851 1.00 13.44 H new ATOM 0 HB2 LEU A 24 -12.900 -9.886 11.046 1.00 71.51 H new ATOM 0 HB3 LEU A 24 -12.395 -11.501 11.499 1.00 71.51 H new ATOM 0 HG LEU A 24 -12.421 -10.450 8.656 1.00 30.31 H new ATOM 0 HD11 LEU A 24 -9.972 -10.325 8.891 1.00 23.14 H new ATOM 0 HD12 LEU A 24 -10.801 -9.233 10.025 1.00 23.14 H new ATOM 0 HD13 LEU A 24 -10.119 -10.770 10.608 1.00 23.14 H new ATOM 0 HD21 LEU A 24 -11.037 -12.435 8.185 1.00 62.40 H new ATOM 0 HD22 LEU A 24 -11.226 -12.962 9.874 1.00 62.40 H new ATOM 0 HD23 LEU A 24 -12.645 -12.883 8.803 1.00 62.40 H new ATOM 289 N LEU A 25 -15.380 -10.811 12.559 1.00 14.22 N ATOM 290 CA LEU A 25 -16.000 -11.045 13.859 1.00 71.01 C ATOM 291 C LEU A 25 -17.254 -11.902 13.718 1.00 50.02 C ATOM 292 O LEU A 25 -17.412 -12.905 14.413 1.00 74.11 O ATOM 293 CB LEU A 25 -16.351 -9.714 14.526 1.00 4.11 C ATOM 294 CG LEU A 25 -17.115 -9.806 15.847 1.00 4.04 C ATOM 295 CD1 LEU A 25 -16.198 -9.484 17.017 1.00 12.54 C ATOM 296 CD2 LEU A 25 -18.316 -8.872 15.835 1.00 2.22 C ATOM 0 H LEU A 25 -15.354 -9.832 12.275 1.00 14.22 H new ATOM 0 HA LEU A 25 -15.285 -11.580 14.484 1.00 71.01 H new ATOM 0 HB2 LEU A 25 -15.427 -9.164 14.702 1.00 4.11 H new ATOM 0 HB3 LEU A 25 -16.944 -9.125 13.826 1.00 4.11 H new ATOM 0 HG LEU A 25 -17.476 -10.828 15.965 1.00 4.04 H new ATOM 0 HD11 LEU A 25 -16.759 -9.554 17.949 1.00 12.54 H new ATOM 0 HD12 LEU A 25 -15.371 -10.193 17.037 1.00 12.54 H new ATOM 0 HD13 LEU A 25 -15.806 -8.473 16.905 1.00 12.54 H new ATOM 0 HD21 LEU A 25 -18.848 -8.951 16.783 1.00 2.22 H new ATOM 0 HD22 LEU A 25 -17.977 -7.846 15.693 1.00 2.22 H new ATOM 0 HD23 LEU A 25 -18.984 -9.149 15.020 1.00 2.22 H new ATOM 308 N GLN A 26 -18.140 -11.500 12.813 1.00 73.25 N ATOM 309 CA GLN A 26 -19.379 -12.233 12.580 1.00 53.24 C ATOM 310 C GLN A 26 -19.093 -13.687 12.221 1.00 64.15 C ATOM 311 O GLN A 26 -19.793 -14.597 12.665 1.00 41.22 O ATOM 312 CB GLN A 26 -20.187 -11.569 11.463 1.00 62.01 C ATOM 313 CG GLN A 26 -20.695 -10.182 11.821 1.00 1.15 C ATOM 314 CD GLN A 26 -22.038 -10.216 12.523 1.00 55.33 C ATOM 315 OE1 GLN A 26 -23.061 -10.533 11.915 1.00 52.12 O ATOM 316 NE2 GLN A 26 -22.043 -9.888 13.810 1.00 74.24 N ATOM 0 H GLN A 26 -18.023 -10.672 12.229 1.00 73.25 H new ATOM 0 HA GLN A 26 -19.961 -12.214 13.501 1.00 53.24 H new ATOM 0 HB2 GLN A 26 -19.567 -11.500 10.569 1.00 62.01 H new ATOM 0 HB3 GLN A 26 -21.037 -12.205 11.213 1.00 62.01 H new ATOM 0 HG2 GLN A 26 -19.966 -9.687 12.463 1.00 1.15 H new ATOM 0 HG3 GLN A 26 -20.779 -9.584 10.913 1.00 1.15 H new ATOM 0 HE21 GLN A 26 -21.172 -9.632 14.274 1.00 74.24 H new ATOM 0 HE22 GLN A 26 -22.918 -9.892 14.334 1.00 74.24 H new ATOM 325 N VAL A 27 -18.058 -13.899 11.413 1.00 73.21 N ATOM 326 CA VAL A 27 -17.678 -15.243 10.994 1.00 32.13 C ATOM 327 C VAL A 27 -16.989 -15.997 12.126 1.00 1.11 C ATOM 328 O VAL A 27 -17.459 -17.048 12.563 1.00 22.24 O ATOM 329 CB VAL A 27 -16.742 -15.207 9.772 1.00 51.53 C ATOM 330 CG1 VAL A 27 -16.090 -16.564 9.557 1.00 10.05 C ATOM 331 CG2 VAL A 27 -17.505 -14.770 8.530 1.00 21.30 C ATOM 0 H VAL A 27 -17.468 -13.157 11.036 1.00 73.21 H new ATOM 0 HA VAL A 27 -18.598 -15.761 10.722 1.00 32.13 H new ATOM 0 HB VAL A 27 -15.953 -14.479 9.962 1.00 51.53 H new ATOM 0 HG11 VAL A 27 -15.432 -16.518 8.689 1.00 10.05 H new ATOM 0 HG12 VAL A 27 -15.508 -16.832 10.439 1.00 10.05 H new ATOM 0 HG13 VAL A 27 -16.861 -17.316 9.389 1.00 10.05 H new ATOM 0 HG21 VAL A 27 -16.828 -14.750 7.676 1.00 21.30 H new ATOM 0 HG22 VAL A 27 -18.315 -15.472 8.335 1.00 21.30 H new ATOM 0 HG23 VAL A 27 -17.919 -13.774 8.689 1.00 21.30 H new ATOM 341 N LEU A 28 -15.872 -15.453 12.597 1.00 32.23 N ATOM 342 CA LEU A 28 -15.117 -16.074 13.680 1.00 2.21 C ATOM 343 C LEU A 28 -16.028 -16.411 14.856 1.00 2.32 C ATOM 344 O LEU A 28 -15.949 -17.501 15.422 1.00 13.43 O ATOM 345 CB LEU A 28 -13.992 -15.145 14.141 1.00 20.32 C ATOM 346 CG LEU A 28 -12.653 -15.304 13.420 1.00 23.05 C ATOM 347 CD1 LEU A 28 -12.782 -14.901 11.960 1.00 63.33 C ATOM 348 CD2 LEU A 28 -11.575 -14.480 14.110 1.00 52.32 C ATOM 0 H LEU A 28 -15.469 -14.584 12.246 1.00 32.23 H new ATOM 0 HA LEU A 28 -14.684 -17.001 13.303 1.00 2.21 H new ATOM 0 HB2 LEU A 28 -14.327 -14.115 14.021 1.00 20.32 H new ATOM 0 HB3 LEU A 28 -13.829 -15.305 15.207 1.00 20.32 H new ATOM 0 HG LEU A 28 -12.362 -16.354 13.461 1.00 23.05 H new ATOM 0 HD11 LEU A 28 -11.819 -15.021 11.463 1.00 63.33 H new ATOM 0 HD12 LEU A 28 -13.523 -15.534 11.472 1.00 63.33 H new ATOM 0 HD13 LEU A 28 -13.096 -13.859 11.897 1.00 63.33 H new ATOM 0 HD21 LEU A 28 -10.629 -14.605 13.584 1.00 52.32 H new ATOM 0 HD22 LEU A 28 -11.859 -13.428 14.100 1.00 52.32 H new ATOM 0 HD23 LEU A 28 -11.464 -14.816 15.141 1.00 52.32 H new ATOM 360 N MET A 29 -16.893 -15.468 15.217 1.00 62.42 N ATOM 361 CA MET A 29 -17.821 -15.667 16.324 1.00 74.35 C ATOM 362 C MET A 29 -18.849 -16.742 15.985 1.00 60.55 C ATOM 363 O MET A 29 -19.344 -17.442 16.869 1.00 54.54 O ATOM 364 CB MET A 29 -18.532 -14.356 16.663 1.00 3.53 C ATOM 365 CG MET A 29 -19.723 -14.060 15.767 1.00 41.44 C ATOM 366 SD MET A 29 -20.556 -12.521 16.203 1.00 22.24 S ATOM 367 CE MET A 29 -22.215 -12.856 15.616 1.00 5.40 C ATOM 0 H MET A 29 -16.970 -14.560 14.759 1.00 62.42 H new ATOM 0 HA MET A 29 -17.248 -15.997 17.191 1.00 74.35 H new ATOM 0 HB2 MET A 29 -18.868 -14.392 17.699 1.00 3.53 H new ATOM 0 HB3 MET A 29 -17.818 -13.535 16.588 1.00 3.53 H new ATOM 0 HG2 MET A 29 -19.389 -14.007 14.731 1.00 41.44 H new ATOM 0 HG3 MET A 29 -20.434 -14.884 15.830 1.00 41.44 H new ATOM 0 HE1 MET A 29 -22.852 -11.994 15.815 1.00 5.40 H new ATOM 0 HE2 MET A 29 -22.189 -13.049 14.544 1.00 5.40 H new ATOM 0 HE3 MET A 29 -22.614 -13.729 16.132 1.00 5.40 H new ATOM 377 N ASP A 30 -19.165 -16.869 14.700 1.00 4.24 N ATOM 378 CA ASP A 30 -20.133 -17.860 14.245 1.00 41.41 C ATOM 379 C ASP A 30 -19.645 -19.274 14.545 1.00 55.40 C ATOM 380 O ASP A 30 -20.379 -20.087 15.107 1.00 73.32 O ATOM 381 CB ASP A 30 -20.388 -17.702 12.745 1.00 34.32 C ATOM 382 CG ASP A 30 -21.820 -17.309 12.440 1.00 54.10 C ATOM 383 OD1 ASP A 30 -22.722 -17.705 13.209 1.00 64.45 O ATOM 384 OD2 ASP A 30 -22.040 -16.604 11.433 1.00 3.11 O ATOM 0 H ASP A 30 -18.765 -16.298 13.956 1.00 4.24 H new ATOM 0 HA ASP A 30 -21.066 -17.696 14.784 1.00 41.41 H new ATOM 0 HB2 ASP A 30 -19.713 -16.947 12.342 1.00 34.32 H new ATOM 0 HB3 ASP A 30 -20.156 -18.639 12.239 1.00 34.32 H new ATOM 389 N ILE A 31 -18.404 -19.559 14.166 1.00 74.01 N ATOM 390 CA ILE A 31 -17.820 -20.875 14.395 1.00 43.55 C ATOM 391 C ILE A 31 -17.441 -21.061 15.860 1.00 50.41 C ATOM 392 O ILE A 31 -17.544 -22.159 16.403 1.00 34.43 O ATOM 393 CB ILE A 31 -16.571 -21.095 13.521 1.00 5.11 C ATOM 394 CG1 ILE A 31 -16.017 -22.506 13.731 1.00 0.23 C ATOM 395 CG2 ILE A 31 -15.511 -20.051 13.840 1.00 65.21 C ATOM 396 CD1 ILE A 31 -14.738 -22.773 12.969 1.00 1.22 C ATOM 0 H ILE A 31 -17.784 -18.897 13.699 1.00 74.01 H new ATOM 0 HA ILE A 31 -18.578 -21.609 14.123 1.00 43.55 H new ATOM 0 HB ILE A 31 -16.855 -20.988 12.474 1.00 5.11 H new ATOM 0 HG12 ILE A 31 -15.836 -22.662 14.795 1.00 0.23 H new ATOM 0 HG13 ILE A 31 -16.770 -23.232 13.426 1.00 0.23 H new ATOM 0 HG21 ILE A 31 -14.634 -20.220 13.214 1.00 65.21 H new ATOM 0 HG22 ILE A 31 -15.910 -19.056 13.645 1.00 65.21 H new ATOM 0 HG23 ILE A 31 -15.228 -20.129 14.890 1.00 65.21 H new ATOM 0 HD11 ILE A 31 -14.403 -23.792 13.165 1.00 1.22 H new ATOM 0 HD12 ILE A 31 -14.918 -22.650 11.901 1.00 1.22 H new ATOM 0 HD13 ILE A 31 -13.969 -22.070 13.291 1.00 1.22 H new ATOM 408 N ASN A 32 -17.003 -19.978 16.494 1.00 15.24 N ATOM 409 CA ASN A 32 -16.610 -20.021 17.898 1.00 34.22 C ATOM 410 C ASN A 32 -17.830 -20.183 18.800 1.00 54.20 C ATOM 411 O ASN A 32 -17.730 -20.701 19.913 1.00 73.35 O ATOM 412 CB ASN A 32 -15.848 -18.749 18.275 1.00 33.24 C ATOM 413 CG ASN A 32 -14.892 -18.970 19.432 1.00 40.44 C ATOM 414 OD1 ASN A 32 -13.678 -18.824 19.284 1.00 15.44 O ATOM 415 ND2 ASN A 32 -15.436 -19.323 20.590 1.00 32.51 N ATOM 0 H ASN A 32 -16.911 -19.060 16.058 1.00 15.24 H new ATOM 0 HA ASN A 32 -15.958 -20.883 18.041 1.00 34.22 H new ATOM 0 HB2 ASN A 32 -15.290 -18.393 17.409 1.00 33.24 H new ATOM 0 HB3 ASN A 32 -16.560 -17.967 18.539 1.00 33.24 H new ATOM 0 HD21 ASN A 32 -14.843 -19.485 21.404 1.00 32.51 H new ATOM 0 HD22 ASN A 32 -16.447 -19.432 20.666 1.00 32.51 H new ATOM 422 N THR A 33 -18.984 -19.736 18.312 1.00 5.53 N ATOM 423 CA THR A 33 -20.223 -19.830 19.073 1.00 1.42 C ATOM 424 C THR A 33 -20.886 -21.188 18.878 1.00 73.12 C ATOM 425 O THR A 33 -21.564 -21.694 19.773 1.00 13.01 O ATOM 426 CB THR A 33 -21.216 -18.723 18.669 1.00 64.31 C ATOM 427 OG1 THR A 33 -20.702 -17.442 19.049 1.00 52.34 O ATOM 428 CG2 THR A 33 -22.571 -18.947 19.323 1.00 4.44 C ATOM 0 H THR A 33 -19.085 -19.305 17.393 1.00 5.53 H new ATOM 0 HA THR A 33 -19.959 -19.705 20.123 1.00 1.42 H new ATOM 0 HB THR A 33 -21.343 -18.756 17.587 1.00 64.31 H new ATOM 0 HG1 THR A 33 -20.212 -17.050 18.296 1.00 52.34 H new ATOM 0 HG21 THR A 33 -23.255 -18.153 19.023 1.00 4.44 H new ATOM 0 HG22 THR A 33 -22.972 -19.910 19.008 1.00 4.44 H new ATOM 0 HG23 THR A 33 -22.458 -18.938 20.407 1.00 4.44 H new ATOM 436 N LEU A 34 -20.687 -21.775 17.703 1.00 63.01 N ATOM 437 CA LEU A 34 -21.265 -23.077 17.390 1.00 35.10 C ATOM 438 C LEU A 34 -20.780 -24.139 18.371 1.00 2.15 C ATOM 439 O LEU A 34 -21.546 -25.002 18.797 1.00 14.30 O ATOM 440 CB LEU A 34 -20.907 -23.486 15.960 1.00 34.02 C ATOM 441 CG LEU A 34 -20.753 -24.987 15.710 1.00 51.41 C ATOM 442 CD1 LEU A 34 -22.049 -25.717 16.026 1.00 12.43 C ATOM 443 CD2 LEU A 34 -20.330 -25.247 14.271 1.00 1.45 C ATOM 0 H LEU A 34 -20.130 -21.370 16.951 1.00 63.01 H new ATOM 0 HA LEU A 34 -22.348 -22.996 17.478 1.00 35.10 H new ATOM 0 HB2 LEU A 34 -21.677 -23.104 15.290 1.00 34.02 H new ATOM 0 HB3 LEU A 34 -19.974 -22.995 15.686 1.00 34.02 H new ATOM 0 HG LEU A 34 -19.975 -25.368 16.372 1.00 51.41 H new ATOM 0 HD11 LEU A 34 -21.920 -26.784 15.842 1.00 12.43 H new ATOM 0 HD12 LEU A 34 -22.310 -25.558 17.072 1.00 12.43 H new ATOM 0 HD13 LEU A 34 -22.847 -25.333 15.390 1.00 12.43 H new ATOM 0 HD21 LEU A 34 -20.225 -26.320 14.111 1.00 1.45 H new ATOM 0 HD22 LEU A 34 -21.086 -24.851 13.592 1.00 1.45 H new ATOM 0 HD23 LEU A 34 -19.376 -24.756 14.078 1.00 1.45 H new ATOM 455 N ASN A 35 -19.501 -24.067 18.728 1.00 74.41 N ATOM 456 CA ASN A 35 -18.914 -25.022 19.661 1.00 5.30 C ATOM 457 C ASN A 35 -17.480 -24.631 20.008 1.00 13.22 C ATOM 458 O ASN A 35 -16.663 -25.479 20.365 1.00 54.33 O ATOM 459 CB ASN A 35 -18.940 -26.431 19.066 1.00 43.13 C ATOM 460 CG ASN A 35 -18.555 -27.493 20.077 1.00 33.24 C ATOM 461 OD1 ASN A 35 -19.278 -27.737 21.044 1.00 54.34 O ATOM 462 ND2 ASN A 35 -17.411 -28.131 19.859 1.00 33.33 N ATOM 0 H ASN A 35 -18.852 -23.358 18.386 1.00 74.41 H new ATOM 0 HA ASN A 35 -19.507 -25.010 20.575 1.00 5.30 H new ATOM 0 HB2 ASN A 35 -19.939 -26.642 18.684 1.00 43.13 H new ATOM 0 HB3 ASN A 35 -18.257 -26.477 18.217 1.00 43.13 H new ATOM 0 HD21 ASN A 35 -17.100 -28.856 20.506 1.00 33.33 H new ATOM 0 HD22 ASN A 35 -16.843 -27.896 19.045 1.00 33.33 H new ATOM 469 N GLY A 36 -17.182 -23.339 19.902 1.00 74.24 N ATOM 470 CA GLY A 36 -15.848 -22.858 20.208 1.00 50.00 C ATOM 471 C GLY A 36 -15.729 -22.345 21.629 1.00 22.34 C ATOM 472 O GLY A 36 -14.648 -21.952 22.066 1.00 30.35 O ATOM 0 H GLY A 36 -17.841 -22.617 19.610 1.00 74.24 H new ATOM 0 HA2 GLY A 36 -15.130 -23.664 20.055 1.00 50.00 H new ATOM 0 HA3 GLY A 36 -15.585 -22.060 19.514 1.00 50.00 H new ATOM 476 N GLY A 37 -16.844 -22.347 22.353 1.00 31.34 N ATOM 477 CA GLY A 37 -16.839 -21.875 23.726 1.00 43.15 C ATOM 478 C GLY A 37 -18.044 -21.013 24.047 1.00 63.12 C ATOM 479 O GLY A 37 -18.666 -21.171 25.097 1.00 30.00 O ATOM 0 H GLY A 37 -17.751 -22.667 22.013 1.00 31.34 H new ATOM 0 HA2 GLY A 37 -16.818 -22.731 24.401 1.00 43.15 H new ATOM 0 HA3 GLY A 37 -15.929 -21.304 23.907 1.00 43.15 H new ATOM 483 N SER A 38 -18.373 -20.098 23.141 1.00 11.20 N ATOM 484 CA SER A 38 -19.508 -19.204 23.336 1.00 54.42 C ATOM 485 C SER A 38 -19.182 -18.128 24.367 1.00 1.12 C ATOM 486 O SER A 38 -19.190 -16.936 24.061 1.00 43.32 O ATOM 487 CB SER A 38 -20.739 -19.997 23.781 1.00 4.50 C ATOM 488 OG SER A 38 -20.782 -21.266 23.152 1.00 15.41 O ATOM 0 H SER A 38 -17.870 -19.956 22.265 1.00 11.20 H new ATOM 0 HA SER A 38 -19.723 -18.717 22.385 1.00 54.42 H new ATOM 0 HB2 SER A 38 -20.722 -20.124 24.863 1.00 4.50 H new ATOM 0 HB3 SER A 38 -21.643 -19.437 23.540 1.00 4.50 H new ATOM 0 HG SER A 38 -21.576 -21.754 23.454 1.00 15.41 H new ATOM 494 N SER A 39 -18.895 -18.559 25.592 1.00 52.54 N ATOM 495 CA SER A 39 -18.570 -17.633 26.671 1.00 64.34 C ATOM 496 C SER A 39 -17.232 -16.947 26.413 1.00 44.05 C ATOM 497 O SER A 39 -17.123 -15.723 26.496 1.00 62.54 O ATOM 498 CB SER A 39 -18.527 -18.373 28.009 1.00 4.43 C ATOM 499 OG SER A 39 -19.827 -18.758 28.421 1.00 65.52 O ATOM 0 H SER A 39 -18.881 -19.543 25.862 1.00 52.54 H new ATOM 0 HA SER A 39 -19.348 -16.870 26.710 1.00 64.34 H new ATOM 0 HB2 SER A 39 -17.894 -19.256 27.920 1.00 4.43 H new ATOM 0 HB3 SER A 39 -18.076 -17.733 28.768 1.00 4.43 H new ATOM 0 HG SER A 39 -19.772 -19.231 29.278 1.00 65.52 H new ATOM 505 N ASP A 40 -16.216 -17.744 26.099 1.00 11.13 N ATOM 506 CA ASP A 40 -14.885 -17.215 25.828 1.00 45.23 C ATOM 507 C ASP A 40 -14.784 -16.707 24.393 1.00 50.41 C ATOM 508 O ASP A 40 -13.742 -16.203 23.972 1.00 10.32 O ATOM 509 CB ASP A 40 -13.825 -18.289 26.077 1.00 61.33 C ATOM 510 CG ASP A 40 -14.041 -19.024 27.385 1.00 15.21 C ATOM 511 OD1 ASP A 40 -13.513 -18.563 28.419 1.00 70.30 O ATOM 512 OD2 ASP A 40 -14.740 -20.059 27.376 1.00 51.44 O ATOM 0 H ASP A 40 -16.289 -18.759 26.026 1.00 11.13 H new ATOM 0 HA ASP A 40 -14.709 -16.378 26.504 1.00 45.23 H new ATOM 0 HB2 ASP A 40 -13.837 -19.005 25.255 1.00 61.33 H new ATOM 0 HB3 ASP A 40 -12.838 -17.827 26.082 1.00 61.33 H new ATOM 517 N THR A 41 -15.874 -16.843 23.644 1.00 32.12 N ATOM 518 CA THR A 41 -15.909 -16.400 22.256 1.00 25.22 C ATOM 519 C THR A 41 -15.503 -14.936 22.136 1.00 12.41 C ATOM 520 O THR A 41 -14.541 -14.603 21.445 1.00 10.30 O ATOM 521 CB THR A 41 -17.309 -16.586 21.642 1.00 42.42 C ATOM 522 OG1 THR A 41 -17.627 -17.979 21.559 1.00 31.34 O ATOM 523 CG2 THR A 41 -17.379 -15.961 20.256 1.00 22.52 C ATOM 0 H THR A 41 -16.745 -17.257 23.976 1.00 32.12 H new ATOM 0 HA THR A 41 -15.196 -17.017 21.709 1.00 25.22 H new ATOM 0 HB THR A 41 -18.033 -16.087 22.286 1.00 42.42 H new ATOM 0 HG1 THR A 41 -18.223 -18.134 20.796 1.00 31.34 H new ATOM 0 HG21 THR A 41 -18.377 -16.105 19.842 1.00 22.52 H new ATOM 0 HG22 THR A 41 -17.166 -14.894 20.327 1.00 22.52 H new ATOM 0 HG23 THR A 41 -16.645 -16.436 19.605 1.00 22.52 H new ATOM 531 N ALA A 42 -16.243 -14.064 22.814 1.00 31.20 N ATOM 532 CA ALA A 42 -15.959 -12.635 22.785 1.00 5.02 C ATOM 533 C ALA A 42 -14.464 -12.370 22.932 1.00 10.21 C ATOM 534 O ALA A 42 -13.919 -11.467 22.297 1.00 2.45 O ATOM 535 CB ALA A 42 -16.734 -11.920 23.882 1.00 23.21 C ATOM 0 H ALA A 42 -17.044 -14.323 23.390 1.00 31.20 H new ATOM 0 HA ALA A 42 -16.278 -12.246 21.818 1.00 5.02 H new ATOM 0 HB1 ALA A 42 -16.512 -10.853 23.848 1.00 23.21 H new ATOM 0 HB2 ALA A 42 -17.803 -12.073 23.732 1.00 23.21 H new ATOM 0 HB3 ALA A 42 -16.443 -12.321 24.853 1.00 23.21 H new ATOM 541 N ASP A 43 -13.807 -13.161 23.773 1.00 74.42 N ATOM 542 CA ASP A 43 -12.375 -13.012 24.003 1.00 71.21 C ATOM 543 C ASP A 43 -11.575 -13.594 22.842 1.00 62.02 C ATOM 544 O ASP A 43 -10.621 -12.981 22.362 1.00 24.23 O ATOM 545 CB ASP A 43 -11.973 -13.697 25.310 1.00 62.11 C ATOM 546 CG ASP A 43 -11.772 -12.710 26.443 1.00 51.01 C ATOM 547 OD1 ASP A 43 -11.010 -11.739 26.255 1.00 11.12 O ATOM 548 OD2 ASP A 43 -12.376 -12.909 27.518 1.00 74.12 O ATOM 0 H ASP A 43 -14.244 -13.912 24.307 1.00 74.42 H new ATOM 0 HA ASP A 43 -12.152 -11.948 24.076 1.00 71.21 H new ATOM 0 HB2 ASP A 43 -12.742 -14.417 25.591 1.00 62.11 H new ATOM 0 HB3 ASP A 43 -11.052 -14.259 25.154 1.00 62.11 H new ATOM 553 N LYS A 44 -11.969 -14.781 22.395 1.00 61.54 N ATOM 554 CA LYS A 44 -11.289 -15.448 21.290 1.00 54.52 C ATOM 555 C LYS A 44 -11.387 -14.619 20.013 1.00 70.45 C ATOM 556 O LYS A 44 -10.374 -14.300 19.390 1.00 63.21 O ATOM 557 CB LYS A 44 -11.890 -16.836 21.057 1.00 0.23 C ATOM 558 CG LYS A 44 -11.427 -17.875 22.063 1.00 22.24 C ATOM 559 CD LYS A 44 -12.603 -18.572 22.727 1.00 1.41 C ATOM 560 CE LYS A 44 -12.420 -20.082 22.742 1.00 14.41 C ATOM 561 NZ LYS A 44 -12.288 -20.638 21.367 1.00 13.11 N ATOM 0 H LYS A 44 -12.756 -15.302 22.781 1.00 61.54 H new ATOM 0 HA LYS A 44 -10.237 -15.555 21.554 1.00 54.52 H new ATOM 0 HB2 LYS A 44 -12.977 -16.763 21.096 1.00 0.23 H new ATOM 0 HB3 LYS A 44 -11.629 -17.172 20.054 1.00 0.23 H new ATOM 0 HG2 LYS A 44 -10.801 -18.613 21.562 1.00 22.24 H new ATOM 0 HG3 LYS A 44 -10.810 -17.397 22.824 1.00 22.24 H new ATOM 0 HD2 LYS A 44 -12.714 -18.208 23.748 1.00 1.41 H new ATOM 0 HD3 LYS A 44 -13.522 -18.321 22.198 1.00 1.41 H new ATOM 0 HE2 LYS A 44 -11.533 -20.335 23.323 1.00 14.41 H new ATOM 0 HE3 LYS A 44 -13.271 -20.546 23.241 1.00 14.41 H new ATOM 0 HZ1 LYS A 44 -12.930 -21.448 21.257 1.00 13.11 H new ATOM 0 HZ2 LYS A 44 -12.533 -19.905 20.671 1.00 13.11 H new ATOM 0 HZ3 LYS A 44 -11.308 -20.949 21.211 1.00 13.11 H new ATOM 575 N ILE A 45 -12.611 -14.274 19.629 1.00 54.01 N ATOM 576 CA ILE A 45 -12.840 -13.481 18.428 1.00 43.25 C ATOM 577 C ILE A 45 -12.187 -12.108 18.543 1.00 4.30 C ATOM 578 O ILE A 45 -11.774 -11.519 17.543 1.00 23.45 O ATOM 579 CB ILE A 45 -14.344 -13.300 18.150 1.00 43.22 C ATOM 580 CG1 ILE A 45 -15.085 -14.623 18.351 1.00 24.31 C ATOM 581 CG2 ILE A 45 -14.562 -12.773 16.739 1.00 32.43 C ATOM 582 CD1 ILE A 45 -14.355 -15.818 17.778 1.00 44.31 C ATOM 0 H ILE A 45 -13.460 -14.531 20.133 1.00 54.01 H new ATOM 0 HA ILE A 45 -12.389 -14.027 17.599 1.00 43.25 H new ATOM 0 HB ILE A 45 -14.744 -12.571 18.855 1.00 43.22 H new ATOM 0 HG12 ILE A 45 -15.245 -14.782 19.417 1.00 24.31 H new ATOM 0 HG13 ILE A 45 -16.069 -14.553 17.888 1.00 24.31 H new ATOM 0 HG21 ILE A 45 -15.630 -12.650 16.557 1.00 32.43 H new ATOM 0 HG22 ILE A 45 -14.062 -11.811 16.629 1.00 32.43 H new ATOM 0 HG23 ILE A 45 -14.150 -13.480 16.019 1.00 32.43 H new ATOM 0 HD11 ILE A 45 -14.939 -16.721 17.957 1.00 44.31 H new ATOM 0 HD12 ILE A 45 -14.219 -15.681 16.705 1.00 44.31 H new ATOM 0 HD13 ILE A 45 -13.381 -15.914 18.258 1.00 44.31 H new ATOM 594 N ARG A 46 -12.095 -11.603 19.769 1.00 20.42 N ATOM 595 CA ARG A 46 -11.491 -10.299 20.016 1.00 72.52 C ATOM 596 C ARG A 46 -10.018 -10.298 19.617 1.00 55.05 C ATOM 597 O ARG A 46 -9.574 -9.441 18.852 1.00 64.40 O ATOM 598 CB ARG A 46 -11.631 -9.920 21.491 1.00 11.22 C ATOM 599 CG ARG A 46 -10.745 -8.757 21.907 1.00 12.04 C ATOM 600 CD ARG A 46 -11.489 -7.786 22.811 1.00 42.20 C ATOM 601 NE ARG A 46 -11.026 -6.412 22.636 1.00 53.32 N ATOM 602 CZ ARG A 46 -11.632 -5.358 23.172 1.00 75.30 C ATOM 603 NH1 ARG A 46 -12.719 -5.521 23.914 1.00 74.05 N ATOM 604 NH2 ARG A 46 -11.151 -4.139 22.967 1.00 11.21 N ATOM 0 H ARG A 46 -12.431 -12.077 20.607 1.00 20.42 H new ATOM 0 HA ARG A 46 -12.015 -9.562 19.407 1.00 72.52 H new ATOM 0 HB2 ARG A 46 -12.671 -9.665 21.695 1.00 11.22 H new ATOM 0 HB3 ARG A 46 -11.390 -10.788 22.105 1.00 11.22 H new ATOM 0 HG2 ARG A 46 -9.864 -9.136 22.425 1.00 12.04 H new ATOM 0 HG3 ARG A 46 -10.391 -8.232 21.020 1.00 12.04 H new ATOM 0 HD2 ARG A 46 -12.557 -7.839 22.599 1.00 42.20 H new ATOM 0 HD3 ARG A 46 -11.356 -8.084 23.851 1.00 42.20 H new ATOM 0 HE ARG A 46 -10.192 -6.253 22.071 1.00 53.32 H new ATOM 0 HH11 ARG A 46 -13.091 -6.457 24.074 1.00 74.05 H new ATOM 0 HH12 ARG A 46 -13.183 -4.710 24.324 1.00 74.05 H new ATOM 0 HH21 ARG A 46 -10.315 -4.010 22.397 1.00 11.21 H new ATOM 0 HH22 ARG A 46 -11.617 -3.331 23.379 1.00 11.21 H new ATOM 618 N ILE A 47 -9.268 -11.262 20.139 1.00 11.24 N ATOM 619 CA ILE A 47 -7.846 -11.372 19.837 1.00 55.41 C ATOM 620 C ILE A 47 -7.623 -11.993 18.463 1.00 73.44 C ATOM 621 O ILE A 47 -6.671 -11.650 17.761 1.00 21.42 O ATOM 622 CB ILE A 47 -7.109 -12.214 20.895 1.00 52.41 C ATOM 623 CG1 ILE A 47 -7.710 -13.619 20.969 1.00 10.22 C ATOM 624 CG2 ILE A 47 -7.173 -11.532 22.253 1.00 13.34 C ATOM 625 CD1 ILE A 47 -6.972 -14.637 20.128 1.00 53.32 C ATOM 0 H ILE A 47 -9.621 -11.978 20.773 1.00 11.24 H new ATOM 0 HA ILE A 47 -7.442 -10.360 19.845 1.00 55.41 H new ATOM 0 HB ILE A 47 -6.062 -12.302 20.604 1.00 52.41 H new ATOM 0 HG12 ILE A 47 -7.712 -13.950 22.007 1.00 10.22 H new ATOM 0 HG13 ILE A 47 -8.750 -13.578 20.646 1.00 10.22 H new ATOM 0 HG21 ILE A 47 -6.648 -12.139 22.990 1.00 13.34 H new ATOM 0 HG22 ILE A 47 -6.703 -10.551 22.190 1.00 13.34 H new ATOM 0 HG23 ILE A 47 -8.214 -11.417 22.554 1.00 13.34 H new ATOM 0 HD11 ILE A 47 -7.453 -15.610 20.229 1.00 53.32 H new ATOM 0 HD12 ILE A 47 -6.992 -14.329 19.083 1.00 53.32 H new ATOM 0 HD13 ILE A 47 -5.938 -14.707 20.466 1.00 53.32 H new ATOM 637 N HIS A 48 -8.509 -12.909 18.082 1.00 22.05 N ATOM 638 CA HIS A 48 -8.410 -13.578 16.790 1.00 51.31 C ATOM 639 C HIS A 48 -8.646 -12.592 15.649 1.00 21.41 C ATOM 640 O HIS A 48 -7.828 -12.476 14.737 1.00 24.34 O ATOM 641 CB HIS A 48 -9.419 -14.724 16.706 1.00 10.54 C ATOM 642 CG HIS A 48 -8.994 -15.952 17.451 1.00 43.42 C ATOM 643 ND1 HIS A 48 -9.874 -16.752 18.148 1.00 51.03 N ATOM 644 CD2 HIS A 48 -7.773 -16.516 17.603 1.00 1.03 C ATOM 645 CE1 HIS A 48 -9.213 -17.755 18.698 1.00 10.41 C ATOM 646 NE2 HIS A 48 -7.936 -17.635 18.383 1.00 50.15 N ATOM 0 H HIS A 48 -9.303 -13.204 18.650 1.00 22.05 H new ATOM 0 HA HIS A 48 -7.403 -13.984 16.695 1.00 51.31 H new ATOM 0 HB2 HIS A 48 -10.377 -14.383 17.100 1.00 10.54 H new ATOM 0 HB3 HIS A 48 -9.578 -14.981 15.659 1.00 10.54 H new ATOM 0 HD2 HIS A 48 -6.844 -16.154 17.188 1.00 1.03 H new ATOM 0 HE1 HIS A 48 -9.644 -18.540 19.302 1.00 10.41 H new ATOM 0 HE2 HIS A 48 -7.192 -18.270 18.672 1.00 50.15 H new ATOM 654 N ALA A 49 -9.770 -11.886 15.707 1.00 50.23 N ATOM 655 CA ALA A 49 -10.113 -10.910 14.679 1.00 25.15 C ATOM 656 C ALA A 49 -9.099 -9.772 14.644 1.00 43.32 C ATOM 657 O ALA A 49 -8.564 -9.435 13.587 1.00 71.10 O ATOM 658 CB ALA A 49 -11.513 -10.365 14.916 1.00 52.15 C ATOM 0 H ALA A 49 -10.459 -11.971 16.455 1.00 50.23 H new ATOM 0 HA ALA A 49 -10.090 -11.413 13.712 1.00 25.15 H new ATOM 0 HB1 ALA A 49 -11.756 -9.638 14.142 1.00 52.15 H new ATOM 0 HB2 ALA A 49 -12.232 -11.183 14.884 1.00 52.15 H new ATOM 0 HB3 ALA A 49 -11.555 -9.883 15.893 1.00 52.15 H new ATOM 664 N LYS A 50 -8.838 -9.181 15.805 1.00 13.11 N ATOM 665 CA LYS A 50 -7.888 -8.080 15.908 1.00 40.11 C ATOM 666 C LYS A 50 -6.529 -8.479 15.341 1.00 74.12 C ATOM 667 O LYS A 50 -5.969 -7.780 14.498 1.00 61.33 O ATOM 668 CB LYS A 50 -7.736 -7.645 17.367 1.00 25.23 C ATOM 669 CG LYS A 50 -8.893 -6.804 17.875 1.00 13.44 C ATOM 670 CD LYS A 50 -8.548 -5.324 17.879 1.00 5.12 C ATOM 671 CE LYS A 50 -9.795 -4.460 17.988 1.00 61.42 C ATOM 672 NZ LYS A 50 -9.465 -3.008 17.993 1.00 74.10 N ATOM 0 H LYS A 50 -9.272 -9.447 16.689 1.00 13.11 H new ATOM 0 HA LYS A 50 -8.274 -7.244 15.325 1.00 40.11 H new ATOM 0 HB2 LYS A 50 -7.640 -8.532 17.993 1.00 25.23 H new ATOM 0 HB3 LYS A 50 -6.811 -7.078 17.474 1.00 25.23 H new ATOM 0 HG2 LYS A 50 -9.769 -6.973 17.248 1.00 13.44 H new ATOM 0 HG3 LYS A 50 -9.158 -7.119 18.884 1.00 13.44 H new ATOM 0 HD2 LYS A 50 -7.880 -5.107 18.713 1.00 5.12 H new ATOM 0 HD3 LYS A 50 -8.009 -5.073 16.966 1.00 5.12 H new ATOM 0 HE2 LYS A 50 -10.462 -4.678 17.154 1.00 61.42 H new ATOM 0 HE3 LYS A 50 -10.334 -4.713 18.901 1.00 61.42 H new ATOM 0 HZ1 LYS A 50 -10.341 -2.453 18.069 1.00 74.10 H new ATOM 0 HZ2 LYS A 50 -8.849 -2.795 18.803 1.00 74.10 H new ATOM 0 HZ3 LYS A 50 -8.974 -2.761 17.110 1.00 74.10 H new ATOM 686 N ASN A 51 -6.006 -9.608 15.809 1.00 55.15 N ATOM 687 CA ASN A 51 -4.714 -10.100 15.347 1.00 63.33 C ATOM 688 C ASN A 51 -4.767 -10.462 13.865 1.00 21.05 C ATOM 689 O ASN A 51 -3.760 -10.390 13.161 1.00 2.41 O ATOM 690 CB ASN A 51 -4.287 -11.320 16.166 1.00 2.10 C ATOM 691 CG ASN A 51 -2.816 -11.646 15.994 1.00 42.12 C ATOM 692 OD1 ASN A 51 -2.374 -12.019 14.907 1.00 74.21 O ATOM 693 ND2 ASN A 51 -2.049 -11.506 17.069 1.00 32.21 N ATOM 0 H ASN A 51 -6.457 -10.199 16.507 1.00 55.15 H new ATOM 0 HA ASN A 51 -3.981 -9.305 15.482 1.00 63.33 H new ATOM 0 HB2 ASN A 51 -4.495 -11.137 17.220 1.00 2.10 H new ATOM 0 HB3 ASN A 51 -4.885 -12.182 15.868 1.00 2.10 H new ATOM 0 HD21 ASN A 51 -1.051 -11.710 17.014 1.00 32.21 H new ATOM 0 HD22 ASN A 51 -2.458 -11.194 17.950 1.00 32.21 H new ATOM 700 N PHE A 52 -5.949 -10.851 13.399 1.00 21.22 N ATOM 701 CA PHE A 52 -6.134 -11.225 12.002 1.00 53.21 C ATOM 702 C PHE A 52 -6.084 -9.996 11.099 1.00 13.41 C ATOM 703 O PHE A 52 -5.301 -9.941 10.152 1.00 53.25 O ATOM 704 CB PHE A 52 -7.468 -11.952 11.819 1.00 60.01 C ATOM 705 CG PHE A 52 -7.339 -13.448 11.811 1.00 24.41 C ATOM 706 CD1 PHE A 52 -6.521 -14.091 12.727 1.00 72.00 C ATOM 707 CD2 PHE A 52 -8.035 -14.212 10.889 1.00 62.55 C ATOM 708 CE1 PHE A 52 -6.400 -15.468 12.721 1.00 1.24 C ATOM 709 CE2 PHE A 52 -7.918 -15.590 10.878 1.00 2.34 C ATOM 710 CZ PHE A 52 -7.100 -16.218 11.797 1.00 61.11 C ATOM 0 H PHE A 52 -6.793 -10.915 13.968 1.00 21.22 H new ATOM 0 HA PHE A 52 -5.321 -11.895 11.720 1.00 53.21 H new ATOM 0 HB2 PHE A 52 -8.146 -11.658 12.620 1.00 60.01 H new ATOM 0 HB3 PHE A 52 -7.923 -11.630 10.882 1.00 60.01 H new ATOM 0 HD1 PHE A 52 -5.972 -13.510 13.453 1.00 72.00 H new ATOM 0 HD2 PHE A 52 -8.677 -13.726 10.170 1.00 62.55 H new ATOM 0 HE1 PHE A 52 -5.758 -15.957 13.439 1.00 1.24 H new ATOM 0 HE2 PHE A 52 -8.465 -16.174 10.152 1.00 2.34 H new ATOM 0 HZ PHE A 52 -7.008 -17.294 11.793 1.00 61.11 H new ATOM 720 N GLU A 53 -6.927 -9.012 11.401 1.00 65.30 N ATOM 721 CA GLU A 53 -6.979 -7.785 10.616 1.00 53.41 C ATOM 722 C GLU A 53 -5.607 -7.120 10.552 1.00 30.21 C ATOM 723 O GLU A 53 -5.249 -6.507 9.547 1.00 22.02 O ATOM 724 CB GLU A 53 -8.001 -6.814 11.213 1.00 25.44 C ATOM 725 CG GLU A 53 -7.695 -6.416 12.648 1.00 70.24 C ATOM 726 CD GLU A 53 -8.578 -5.286 13.140 1.00 35.41 C ATOM 727 OE1 GLU A 53 -8.762 -4.306 12.388 1.00 63.31 O ATOM 728 OE2 GLU A 53 -9.086 -5.382 14.277 1.00 51.11 O ATOM 0 H GLU A 53 -7.582 -9.042 12.183 1.00 65.30 H new ATOM 0 HA GLU A 53 -7.284 -8.046 9.603 1.00 53.41 H new ATOM 0 HB2 GLU A 53 -8.040 -5.916 10.596 1.00 25.44 H new ATOM 0 HB3 GLU A 53 -8.990 -7.271 11.174 1.00 25.44 H new ATOM 0 HG2 GLU A 53 -7.824 -7.282 13.297 1.00 70.24 H new ATOM 0 HG3 GLU A 53 -6.650 -6.115 12.723 1.00 70.24 H new ATOM 735 N ALA A 54 -4.844 -7.247 11.633 1.00 51.21 N ATOM 736 CA ALA A 54 -3.511 -6.661 11.700 1.00 12.40 C ATOM 737 C ALA A 54 -2.520 -7.452 10.853 1.00 12.03 C ATOM 738 O ALA A 54 -1.556 -6.896 10.328 1.00 22.52 O ATOM 739 CB ALA A 54 -3.037 -6.591 13.144 1.00 32.32 C ATOM 0 H ALA A 54 -5.126 -7.750 12.474 1.00 51.21 H new ATOM 0 HA ALA A 54 -3.565 -5.649 11.298 1.00 12.40 H new ATOM 0 HB1 ALA A 54 -2.040 -6.151 13.179 1.00 32.32 H new ATOM 0 HB2 ALA A 54 -3.725 -5.976 13.723 1.00 32.32 H new ATOM 0 HB3 ALA A 54 -3.005 -7.596 13.566 1.00 32.32 H new ATOM 745 N ALA A 55 -2.764 -8.752 10.726 1.00 60.22 N ATOM 746 CA ALA A 55 -1.893 -9.619 9.942 1.00 74.32 C ATOM 747 C ALA A 55 -2.148 -9.447 8.448 1.00 5.21 C ATOM 748 O ALA A 55 -1.213 -9.267 7.666 1.00 73.44 O ATOM 749 CB ALA A 55 -2.091 -11.072 10.348 1.00 22.23 C ATOM 0 H ALA A 55 -3.557 -9.228 11.156 1.00 60.22 H new ATOM 0 HA ALA A 55 -0.861 -9.334 10.144 1.00 74.32 H new ATOM 0 HB1 ALA A 55 -1.434 -11.708 9.755 1.00 22.23 H new ATOM 0 HB2 ALA A 55 -1.853 -11.190 11.405 1.00 22.23 H new ATOM 0 HB3 ALA A 55 -3.128 -11.360 10.176 1.00 22.23 H new ATOM 755 N LEU A 56 -3.416 -9.503 8.058 1.00 12.24 N ATOM 756 CA LEU A 56 -3.793 -9.353 6.657 1.00 35.31 C ATOM 757 C LEU A 56 -3.508 -7.938 6.164 1.00 34.15 C ATOM 758 O LEU A 56 -3.163 -7.732 5.001 1.00 62.42 O ATOM 759 CB LEU A 56 -5.276 -9.682 6.470 1.00 44.13 C ATOM 760 CG LEU A 56 -6.241 -9.005 7.443 1.00 35.21 C ATOM 761 CD1 LEU A 56 -6.914 -7.811 6.784 1.00 4.33 C ATOM 762 CD2 LEU A 56 -7.282 -9.999 7.939 1.00 51.41 C ATOM 0 H LEU A 56 -4.201 -9.651 8.692 1.00 12.24 H new ATOM 0 HA LEU A 56 -3.195 -10.049 6.069 1.00 35.31 H new ATOM 0 HB2 LEU A 56 -5.563 -9.408 5.455 1.00 44.13 H new ATOM 0 HB3 LEU A 56 -5.402 -10.761 6.556 1.00 44.13 H new ATOM 0 HG LEU A 56 -5.671 -8.647 8.300 1.00 35.21 H new ATOM 0 HD11 LEU A 56 -7.597 -7.342 7.492 1.00 4.33 H new ATOM 0 HD12 LEU A 56 -6.156 -7.089 6.478 1.00 4.33 H new ATOM 0 HD13 LEU A 56 -7.471 -8.145 5.909 1.00 4.33 H new ATOM 0 HD21 LEU A 56 -7.961 -9.500 8.631 1.00 51.41 H new ATOM 0 HD22 LEU A 56 -7.848 -10.387 7.092 1.00 51.41 H new ATOM 0 HD23 LEU A 56 -6.784 -10.823 8.450 1.00 51.41 H new ATOM 774 N PHE A 57 -3.653 -6.966 7.058 1.00 14.54 N ATOM 775 CA PHE A 57 -3.410 -5.569 6.715 1.00 33.21 C ATOM 776 C PHE A 57 -1.914 -5.285 6.621 1.00 51.11 C ATOM 777 O PHE A 57 -1.440 -4.715 5.638 1.00 35.05 O ATOM 778 CB PHE A 57 -4.052 -4.647 7.754 1.00 23.44 C ATOM 779 CG PHE A 57 -4.026 -3.197 7.366 1.00 54.21 C ATOM 780 CD1 PHE A 57 -2.855 -2.463 7.455 1.00 43.52 C ATOM 781 CD2 PHE A 57 -5.174 -2.568 6.911 1.00 10.42 C ATOM 782 CE1 PHE A 57 -2.829 -1.127 7.099 1.00 70.44 C ATOM 783 CE2 PHE A 57 -5.154 -1.233 6.553 1.00 13.32 C ATOM 784 CZ PHE A 57 -3.980 -0.512 6.646 1.00 1.01 C ATOM 0 H PHE A 57 -3.937 -7.119 8.025 1.00 14.54 H new ATOM 0 HA PHE A 57 -3.861 -5.376 5.741 1.00 33.21 H new ATOM 0 HB2 PHE A 57 -5.086 -4.954 7.911 1.00 23.44 H new ATOM 0 HB3 PHE A 57 -3.535 -4.770 8.706 1.00 23.44 H new ATOM 0 HD1 PHE A 57 -1.952 -2.939 7.806 1.00 43.52 H new ATOM 0 HD2 PHE A 57 -6.095 -3.127 6.835 1.00 10.42 H new ATOM 0 HE1 PHE A 57 -1.910 -0.565 7.175 1.00 70.44 H new ATOM 0 HE2 PHE A 57 -6.056 -0.754 6.201 1.00 13.32 H new ATOM 0 HZ PHE A 57 -3.962 0.531 6.365 1.00 1.01 H new ATOM 794 N ALA A 58 -1.176 -5.686 7.651 1.00 42.14 N ATOM 795 CA ALA A 58 0.266 -5.476 7.684 1.00 23.12 C ATOM 796 C ALA A 58 0.964 -6.283 6.594 1.00 10.33 C ATOM 797 O ALA A 58 1.988 -5.862 6.055 1.00 32.10 O ATOM 798 CB ALA A 58 0.821 -5.843 9.052 1.00 23.44 C ATOM 0 H ALA A 58 -1.553 -6.158 8.473 1.00 42.14 H new ATOM 0 HA ALA A 58 0.459 -4.420 7.497 1.00 23.12 H new ATOM 0 HB1 ALA A 58 1.899 -5.681 9.063 1.00 23.44 H new ATOM 0 HB2 ALA A 58 0.353 -5.219 9.814 1.00 23.44 H new ATOM 0 HB3 ALA A 58 0.609 -6.892 9.261 1.00 23.44 H new ATOM 804 N LYS A 59 0.404 -7.444 6.274 1.00 21.44 N ATOM 805 CA LYS A 59 0.971 -8.311 5.248 1.00 5.11 C ATOM 806 C LYS A 59 0.293 -8.076 3.902 1.00 21.51 C ATOM 807 O LYS A 59 0.668 -8.676 2.895 1.00 44.24 O ATOM 808 CB LYS A 59 0.828 -9.779 5.655 1.00 72.23 C ATOM 809 CG LYS A 59 1.490 -10.111 6.981 1.00 14.41 C ATOM 810 CD LYS A 59 2.994 -9.909 6.919 1.00 25.31 C ATOM 811 CE LYS A 59 3.742 -11.134 7.425 1.00 52.32 C ATOM 812 NZ LYS A 59 4.025 -12.102 6.330 1.00 64.05 N ATOM 0 H LYS A 59 -0.443 -7.807 6.711 1.00 21.44 H new ATOM 0 HA LYS A 59 2.029 -8.070 5.148 1.00 5.11 H new ATOM 0 HB2 LYS A 59 -0.231 -10.029 5.715 1.00 72.23 H new ATOM 0 HB3 LYS A 59 1.260 -10.407 4.876 1.00 72.23 H new ATOM 0 HG2 LYS A 59 1.070 -9.482 7.766 1.00 14.41 H new ATOM 0 HG3 LYS A 59 1.272 -11.145 7.249 1.00 14.41 H new ATOM 0 HD2 LYS A 59 3.292 -9.698 5.892 1.00 25.31 H new ATOM 0 HD3 LYS A 59 3.271 -9.040 7.516 1.00 25.31 H new ATOM 0 HE2 LYS A 59 4.679 -10.823 7.886 1.00 52.32 H new ATOM 0 HE3 LYS A 59 3.153 -11.624 8.200 1.00 52.32 H new ATOM 0 HZ1 LYS A 59 4.535 -12.922 6.715 1.00 64.05 H new ATOM 0 HZ2 LYS A 59 3.129 -12.419 5.907 1.00 64.05 H new ATOM 0 HZ3 LYS A 59 4.608 -11.642 5.602 1.00 64.05 H new ATOM 826 N SER A 60 -0.706 -7.200 3.893 1.00 72.22 N ATOM 827 CA SER A 60 -1.438 -6.888 2.671 1.00 72.52 C ATOM 828 C SER A 60 -0.493 -6.382 1.586 1.00 41.04 C ATOM 829 O SER A 60 0.204 -5.384 1.770 1.00 22.43 O ATOM 830 CB SER A 60 -2.518 -5.842 2.951 1.00 35.01 C ATOM 831 OG SER A 60 -2.152 -4.578 2.427 1.00 41.51 O ATOM 0 H SER A 60 -1.027 -6.694 4.718 1.00 72.22 H new ATOM 0 HA SER A 60 -1.912 -7.803 2.317 1.00 72.52 H new ATOM 0 HB2 SER A 60 -3.462 -6.162 2.510 1.00 35.01 H new ATOM 0 HB3 SER A 60 -2.680 -5.761 4.026 1.00 35.01 H new ATOM 0 HG SER A 60 -1.176 -4.486 2.445 1.00 41.51 H new ATOM 837 N SER A 61 -0.475 -7.078 0.453 1.00 14.41 N ATOM 838 CA SER A 61 0.387 -6.702 -0.662 1.00 15.25 C ATOM 839 C SER A 61 -0.302 -5.679 -1.560 1.00 74.53 C ATOM 840 O SER A 61 0.351 -4.967 -2.323 1.00 35.21 O ATOM 841 CB SER A 61 0.770 -7.938 -1.477 1.00 33.42 C ATOM 842 OG SER A 61 -0.028 -8.047 -2.643 1.00 65.24 O ATOM 0 H SER A 61 -1.047 -7.905 0.283 1.00 14.41 H new ATOM 0 HA SER A 61 1.291 -6.250 -0.254 1.00 15.25 H new ATOM 0 HB2 SER A 61 1.822 -7.882 -1.756 1.00 33.42 H new ATOM 0 HB3 SER A 61 0.650 -8.832 -0.865 1.00 33.42 H new ATOM 0 HG SER A 61 0.237 -8.844 -3.148 1.00 65.24 H new ATOM 848 N SER A 62 -1.626 -5.614 -1.464 1.00 55.52 N ATOM 849 CA SER A 62 -2.406 -4.682 -2.271 1.00 1.43 C ATOM 850 C SER A 62 -3.888 -4.769 -1.921 1.00 14.43 C ATOM 851 O SER A 62 -4.316 -5.667 -1.195 1.00 3.41 O ATOM 852 CB SER A 62 -2.204 -4.970 -3.760 1.00 30.25 C ATOM 853 OG SER A 62 -1.848 -6.325 -3.973 1.00 23.13 O ATOM 0 H SER A 62 -2.181 -6.195 -0.836 1.00 55.52 H new ATOM 0 HA SER A 62 -2.058 -3.672 -2.053 1.00 1.43 H new ATOM 0 HB2 SER A 62 -3.120 -4.741 -4.305 1.00 30.25 H new ATOM 0 HB3 SER A 62 -1.425 -4.319 -4.157 1.00 30.25 H new ATOM 0 HG SER A 62 -1.571 -6.448 -4.905 1.00 23.13 H new ATOM 859 N LYS A 63 -4.669 -3.828 -2.442 1.00 60.32 N ATOM 860 CA LYS A 63 -6.104 -3.797 -2.188 1.00 13.24 C ATOM 861 C LYS A 63 -6.739 -5.151 -2.485 1.00 34.52 C ATOM 862 O LYS A 63 -7.711 -5.548 -1.840 1.00 64.45 O ATOM 863 CB LYS A 63 -6.770 -2.712 -3.037 1.00 72.13 C ATOM 864 CG LYS A 63 -6.570 -2.901 -4.531 1.00 72.30 C ATOM 865 CD LYS A 63 -7.382 -1.898 -5.334 1.00 24.33 C ATOM 866 CE LYS A 63 -7.272 -2.161 -6.828 1.00 30.01 C ATOM 867 NZ LYS A 63 -6.622 -1.029 -7.544 1.00 11.40 N ATOM 0 H LYS A 63 -4.331 -3.076 -3.043 1.00 60.32 H new ATOM 0 HA LYS A 63 -6.256 -3.568 -1.133 1.00 13.24 H new ATOM 0 HB2 LYS A 63 -7.838 -2.698 -2.821 1.00 72.13 H new ATOM 0 HB3 LYS A 63 -6.373 -1.740 -2.746 1.00 72.13 H new ATOM 0 HG2 LYS A 63 -5.513 -2.792 -4.774 1.00 72.30 H new ATOM 0 HG3 LYS A 63 -6.860 -3.913 -4.813 1.00 72.30 H new ATOM 0 HD2 LYS A 63 -8.428 -1.949 -5.031 1.00 24.33 H new ATOM 0 HD3 LYS A 63 -7.035 -0.888 -5.115 1.00 24.33 H new ATOM 0 HE2 LYS A 63 -6.699 -3.073 -6.995 1.00 30.01 H new ATOM 0 HE3 LYS A 63 -8.266 -2.329 -7.241 1.00 30.01 H new ATOM 0 HZ1 LYS A 63 -6.087 -1.394 -8.357 1.00 11.40 H new ATOM 0 HZ2 LYS A 63 -7.350 -0.366 -7.878 1.00 11.40 H new ATOM 0 HZ3 LYS A 63 -5.975 -0.535 -6.897 1.00 11.40 H new ATOM 881 N LYS A 64 -6.184 -5.858 -3.463 1.00 72.24 N ATOM 882 CA LYS A 64 -6.694 -7.170 -3.845 1.00 2.02 C ATOM 883 C LYS A 64 -6.251 -8.236 -2.848 1.00 33.40 C ATOM 884 O LYS A 64 -6.985 -9.186 -2.576 1.00 22.04 O ATOM 885 CB LYS A 64 -6.212 -7.539 -5.250 1.00 2.53 C ATOM 886 CG LYS A 64 -4.707 -7.432 -5.424 1.00 3.32 C ATOM 887 CD LYS A 64 -4.334 -6.317 -6.386 1.00 54.45 C ATOM 888 CE LYS A 64 -4.833 -6.606 -7.794 1.00 12.30 C ATOM 889 NZ LYS A 64 -5.930 -5.682 -8.194 1.00 54.23 N ATOM 0 H LYS A 64 -5.380 -5.544 -4.006 1.00 72.24 H new ATOM 0 HA LYS A 64 -7.783 -7.124 -3.842 1.00 2.02 H new ATOM 0 HB2 LYS A 64 -6.524 -8.559 -5.476 1.00 2.53 H new ATOM 0 HB3 LYS A 64 -6.700 -6.888 -5.975 1.00 2.53 H new ATOM 0 HG2 LYS A 64 -4.240 -7.250 -4.456 1.00 3.32 H new ATOM 0 HG3 LYS A 64 -4.314 -8.379 -5.794 1.00 3.32 H new ATOM 0 HD2 LYS A 64 -4.757 -5.376 -6.035 1.00 54.45 H new ATOM 0 HD3 LYS A 64 -3.251 -6.194 -6.401 1.00 54.45 H new ATOM 0 HE2 LYS A 64 -4.006 -6.514 -8.498 1.00 12.30 H new ATOM 0 HE3 LYS A 64 -5.187 -7.635 -7.850 1.00 12.30 H new ATOM 0 HZ1 LYS A 64 -6.662 -6.214 -8.707 1.00 54.23 H new ATOM 0 HZ2 LYS A 64 -6.347 -5.250 -7.345 1.00 54.23 H new ATOM 0 HZ3 LYS A 64 -5.548 -4.936 -8.810 1.00 54.23 H new ATOM 903 N GLU A 65 -5.048 -8.071 -2.307 1.00 34.44 N ATOM 904 CA GLU A 65 -4.510 -9.021 -1.339 1.00 50.44 C ATOM 905 C GLU A 65 -5.182 -8.852 0.020 1.00 33.42 C ATOM 906 O GLU A 65 -5.337 -9.815 0.772 1.00 63.21 O ATOM 907 CB GLU A 65 -2.997 -8.837 -1.199 1.00 15.01 C ATOM 908 CG GLU A 65 -2.265 -10.106 -0.797 1.00 60.23 C ATOM 909 CD GLU A 65 -2.655 -10.593 0.585 1.00 55.41 C ATOM 910 OE1 GLU A 65 -2.234 -9.961 1.576 1.00 11.24 O ATOM 911 OE2 GLU A 65 -3.382 -11.604 0.675 1.00 24.42 O ATOM 0 H GLU A 65 -4.428 -7.290 -2.522 1.00 34.44 H new ATOM 0 HA GLU A 65 -4.715 -10.028 -1.703 1.00 50.44 H new ATOM 0 HB2 GLU A 65 -2.594 -8.479 -2.146 1.00 15.01 H new ATOM 0 HB3 GLU A 65 -2.801 -8.063 -0.457 1.00 15.01 H new ATOM 0 HG2 GLU A 65 -2.475 -10.888 -1.526 1.00 60.23 H new ATOM 0 HG3 GLU A 65 -1.190 -9.925 -0.824 1.00 60.23 H new ATOM 918 N TYR A 66 -5.579 -7.623 0.329 1.00 54.01 N ATOM 919 CA TYR A 66 -6.232 -7.327 1.599 1.00 53.14 C ATOM 920 C TYR A 66 -7.634 -7.927 1.643 1.00 13.21 C ATOM 921 O TYR A 66 -7.977 -8.664 2.567 1.00 1.33 O ATOM 922 CB TYR A 66 -6.305 -5.815 1.818 1.00 13.11 C ATOM 923 CG TYR A 66 -7.127 -5.417 3.023 1.00 15.00 C ATOM 924 CD1 TYR A 66 -6.552 -5.337 4.285 1.00 11.13 C ATOM 925 CD2 TYR A 66 -8.480 -5.122 2.900 1.00 65.13 C ATOM 926 CE1 TYR A 66 -7.299 -4.974 5.389 1.00 34.43 C ATOM 927 CE2 TYR A 66 -9.234 -4.757 3.998 1.00 72.43 C ATOM 928 CZ TYR A 66 -8.640 -4.685 5.240 1.00 22.23 C ATOM 929 OH TYR A 66 -9.388 -4.324 6.337 1.00 54.32 O ATOM 0 H TYR A 66 -5.460 -6.815 -0.282 1.00 54.01 H new ATOM 0 HA TYR A 66 -5.640 -7.775 2.397 1.00 53.14 H new ATOM 0 HB2 TYR A 66 -5.294 -5.424 1.933 1.00 13.11 H new ATOM 0 HB3 TYR A 66 -6.729 -5.348 0.929 1.00 13.11 H new ATOM 0 HD1 TYR A 66 -5.503 -5.563 4.405 1.00 11.13 H new ATOM 0 HD2 TYR A 66 -8.950 -5.179 1.929 1.00 65.13 H new ATOM 0 HE1 TYR A 66 -6.836 -4.917 6.363 1.00 34.43 H new ATOM 0 HE2 TYR A 66 -10.284 -4.529 3.884 1.00 72.43 H new ATOM 0 HH TYR A 66 -10.239 -3.940 6.040 1.00 54.32 H new ATOM 939 N MET A 67 -8.441 -7.605 0.637 1.00 64.43 N ATOM 940 CA MET A 67 -9.805 -8.114 0.559 1.00 13.30 C ATOM 941 C MET A 67 -9.812 -9.631 0.398 1.00 12.51 C ATOM 942 O MET A 67 -10.606 -10.328 1.030 1.00 1.44 O ATOM 943 CB MET A 67 -10.549 -7.462 -0.608 1.00 53.11 C ATOM 944 CG MET A 67 -9.871 -7.669 -1.953 1.00 34.43 C ATOM 945 SD MET A 67 -10.417 -6.483 -3.196 1.00 72.11 S ATOM 946 CE MET A 67 -12.192 -6.718 -3.132 1.00 43.12 C ATOM 0 H MET A 67 -8.174 -6.994 -0.135 1.00 64.43 H new ATOM 0 HA MET A 67 -10.313 -7.864 1.490 1.00 13.30 H new ATOM 0 HB2 MET A 67 -11.560 -7.866 -0.654 1.00 53.11 H new ATOM 0 HB3 MET A 67 -10.641 -6.393 -0.418 1.00 53.11 H new ATOM 0 HG2 MET A 67 -8.791 -7.587 -1.828 1.00 34.43 H new ATOM 0 HG3 MET A 67 -10.075 -8.680 -2.307 1.00 34.43 H new ATOM 0 HE1 MET A 67 -12.654 -6.233 -3.992 1.00 43.12 H new ATOM 0 HE2 MET A 67 -12.419 -7.784 -3.151 1.00 43.12 H new ATOM 0 HE3 MET A 67 -12.584 -6.280 -2.214 1.00 43.12 H new ATOM 956 N ASP A 68 -8.924 -10.135 -0.451 1.00 50.24 N ATOM 957 CA ASP A 68 -8.828 -11.569 -0.695 1.00 24.44 C ATOM 958 C ASP A 68 -8.370 -12.304 0.562 1.00 71.04 C ATOM 959 O ASP A 68 -8.675 -13.482 0.750 1.00 43.23 O ATOM 960 CB ASP A 68 -7.860 -11.849 -1.845 1.00 64.32 C ATOM 961 CG ASP A 68 -7.649 -13.333 -2.076 1.00 45.34 C ATOM 962 OD1 ASP A 68 -8.607 -14.108 -1.873 1.00 2.51 O ATOM 963 OD2 ASP A 68 -6.525 -13.719 -2.462 1.00 13.24 O ATOM 0 H ASP A 68 -8.260 -9.572 -0.982 1.00 50.24 H new ATOM 0 HA ASP A 68 -9.818 -11.933 -0.968 1.00 24.44 H new ATOM 0 HB2 ASP A 68 -8.243 -11.393 -2.758 1.00 64.32 H new ATOM 0 HB3 ASP A 68 -6.901 -11.377 -1.632 1.00 64.32 H new ATOM 968 N SER A 69 -7.636 -11.601 1.418 1.00 11.31 N ATOM 969 CA SER A 69 -7.132 -12.187 2.654 1.00 31.43 C ATOM 970 C SER A 69 -8.258 -12.368 3.668 1.00 22.41 C ATOM 971 O SER A 69 -8.445 -13.454 4.217 1.00 62.03 O ATOM 972 CB SER A 69 -6.031 -11.307 3.249 1.00 31.44 C ATOM 973 OG SER A 69 -4.746 -11.795 2.904 1.00 52.10 O ATOM 0 H SER A 69 -7.377 -10.624 1.278 1.00 11.31 H new ATOM 0 HA SER A 69 -6.717 -13.167 2.419 1.00 31.43 H new ATOM 0 HB2 SER A 69 -6.144 -10.284 2.889 1.00 31.44 H new ATOM 0 HB3 SER A 69 -6.132 -11.276 4.334 1.00 31.44 H new ATOM 0 HG SER A 69 -4.565 -11.601 1.961 1.00 52.10 H new ATOM 979 N MET A 70 -9.005 -11.296 3.911 1.00 24.34 N ATOM 980 CA MET A 70 -10.113 -11.336 4.858 1.00 21.42 C ATOM 981 C MET A 70 -11.276 -12.150 4.300 1.00 62.52 C ATOM 982 O MET A 70 -11.892 -12.940 5.014 1.00 14.31 O ATOM 983 CB MET A 70 -10.581 -9.918 5.189 1.00 4.11 C ATOM 984 CG MET A 70 -11.017 -9.122 3.970 1.00 74.11 C ATOM 985 SD MET A 70 -11.401 -7.405 4.362 1.00 10.43 S ATOM 986 CE MET A 70 -12.749 -7.090 3.226 1.00 71.54 C ATOM 0 H MET A 70 -8.863 -10.389 3.465 1.00 24.34 H new ATOM 0 HA MET A 70 -9.761 -11.817 5.771 1.00 21.42 H new ATOM 0 HB2 MET A 70 -11.412 -9.973 5.893 1.00 4.11 H new ATOM 0 HB3 MET A 70 -9.773 -9.385 5.691 1.00 4.11 H new ATOM 0 HG2 MET A 70 -10.226 -9.151 3.220 1.00 74.11 H new ATOM 0 HG3 MET A 70 -11.894 -9.594 3.527 1.00 74.11 H new ATOM 0 HE1 MET A 70 -12.931 -6.017 3.166 1.00 71.54 H new ATOM 0 HE2 MET A 70 -12.488 -7.469 2.238 1.00 71.54 H new ATOM 0 HE3 MET A 70 -13.649 -7.592 3.581 1.00 71.54 H new ATOM 996 N ASN A 71 -11.570 -11.952 3.019 1.00 61.31 N ATOM 997 CA ASN A 71 -12.660 -12.668 2.365 1.00 3.13 C ATOM 998 C ASN A 71 -12.398 -14.171 2.361 1.00 13.01 C ATOM 999 O ASN A 71 -13.331 -14.973 2.386 1.00 13.22 O ATOM 1000 CB ASN A 71 -12.839 -12.166 0.931 1.00 34.12 C ATOM 1001 CG ASN A 71 -13.992 -12.848 0.220 1.00 61.50 C ATOM 1002 OD1 ASN A 71 -13.918 -14.032 -0.111 1.00 34.13 O ATOM 1003 ND2 ASN A 71 -15.064 -12.103 -0.019 1.00 14.31 N ATOM 0 H ASN A 71 -11.069 -11.302 2.413 1.00 61.31 H new ATOM 0 HA ASN A 71 -13.575 -12.478 2.926 1.00 3.13 H new ATOM 0 HB2 ASN A 71 -13.009 -11.089 0.944 1.00 34.12 H new ATOM 0 HB3 ASN A 71 -11.919 -12.336 0.372 1.00 34.12 H new ATOM 0 HD21 ASN A 71 -15.870 -12.508 -0.495 1.00 14.31 H new ATOM 0 HD22 ASN A 71 -15.081 -11.126 0.273 1.00 14.31 H new ATOM 1010 N GLU A 72 -11.123 -14.544 2.330 1.00 63.23 N ATOM 1011 CA GLU A 72 -10.739 -15.951 2.322 1.00 32.11 C ATOM 1012 C GLU A 72 -10.830 -16.547 3.724 1.00 71.42 C ATOM 1013 O GLU A 72 -11.215 -17.704 3.895 1.00 21.33 O ATOM 1014 CB GLU A 72 -9.318 -16.112 1.779 1.00 60.24 C ATOM 1015 CG GLU A 72 -8.829 -17.551 1.770 1.00 10.20 C ATOM 1016 CD GLU A 72 -7.982 -17.886 2.982 1.00 34.44 C ATOM 1017 OE1 GLU A 72 -7.195 -17.018 3.414 1.00 32.22 O ATOM 1018 OE2 GLU A 72 -8.106 -19.016 3.499 1.00 34.30 O ATOM 0 H GLU A 72 -10.339 -13.892 2.310 1.00 63.23 H new ATOM 0 HA GLU A 72 -11.431 -16.486 1.672 1.00 32.11 H new ATOM 0 HB2 GLU A 72 -9.279 -15.718 0.764 1.00 60.24 H new ATOM 0 HB3 GLU A 72 -8.638 -15.510 2.381 1.00 60.24 H new ATOM 0 HG2 GLU A 72 -9.687 -18.222 1.734 1.00 10.20 H new ATOM 0 HG3 GLU A 72 -8.248 -17.728 0.865 1.00 10.20 H new ATOM 1025 N LYS A 73 -10.472 -15.749 4.724 1.00 33.41 N ATOM 1026 CA LYS A 73 -10.513 -16.196 6.112 1.00 53.44 C ATOM 1027 C LYS A 73 -11.953 -16.320 6.601 1.00 4.51 C ATOM 1028 O LYS A 73 -12.287 -17.236 7.351 1.00 20.44 O ATOM 1029 CB LYS A 73 -9.742 -15.222 7.005 1.00 3.30 C ATOM 1030 CG LYS A 73 -8.283 -15.599 7.198 1.00 11.24 C ATOM 1031 CD LYS A 73 -7.389 -14.371 7.226 1.00 44.10 C ATOM 1032 CE LYS A 73 -5.919 -14.749 7.119 1.00 32.23 C ATOM 1033 NZ LYS A 73 -5.059 -13.563 6.856 1.00 43.23 N ATOM 0 H LYS A 73 -10.150 -14.789 4.600 1.00 33.41 H new ATOM 0 HA LYS A 73 -10.044 -17.178 6.166 1.00 53.44 H new ATOM 0 HB2 LYS A 73 -9.796 -14.224 6.571 1.00 3.30 H new ATOM 0 HB3 LYS A 73 -10.228 -15.173 7.979 1.00 3.30 H new ATOM 0 HG2 LYS A 73 -8.170 -16.154 8.129 1.00 11.24 H new ATOM 0 HG3 LYS A 73 -7.968 -16.261 6.392 1.00 11.24 H new ATOM 0 HD2 LYS A 73 -7.656 -13.707 6.404 1.00 44.10 H new ATOM 0 HD3 LYS A 73 -7.557 -13.818 8.150 1.00 44.10 H new ATOM 0 HE2 LYS A 73 -5.600 -15.231 8.043 1.00 32.23 H new ATOM 0 HE3 LYS A 73 -5.789 -15.477 6.318 1.00 32.23 H new ATOM 0 HZ1 LYS A 73 -4.065 -13.863 6.790 1.00 43.23 H new ATOM 0 HZ2 LYS A 73 -5.346 -13.117 5.961 1.00 43.23 H new ATOM 0 HZ3 LYS A 73 -5.164 -12.879 7.633 1.00 43.23 H new ATOM 1047 N VAL A 74 -12.801 -15.392 6.170 1.00 14.43 N ATOM 1048 CA VAL A 74 -14.206 -15.399 6.563 1.00 44.23 C ATOM 1049 C VAL A 74 -14.988 -16.451 5.785 1.00 30.44 C ATOM 1050 O VAL A 74 -15.885 -17.097 6.326 1.00 74.11 O ATOM 1051 CB VAL A 74 -14.858 -14.021 6.339 1.00 22.44 C ATOM 1052 CG1 VAL A 74 -14.209 -12.973 7.230 1.00 41.54 C ATOM 1053 CG2 VAL A 74 -14.766 -13.620 4.875 1.00 73.21 C ATOM 0 H VAL A 74 -12.540 -14.626 5.549 1.00 14.43 H new ATOM 0 HA VAL A 74 -14.237 -15.639 7.626 1.00 44.23 H new ATOM 0 HB VAL A 74 -15.912 -14.089 6.607 1.00 22.44 H new ATOM 0 HG11 VAL A 74 -14.682 -12.006 7.058 1.00 41.54 H new ATOM 0 HG12 VAL A 74 -14.332 -13.257 8.275 1.00 41.54 H new ATOM 0 HG13 VAL A 74 -13.147 -12.904 6.996 1.00 41.54 H new ATOM 0 HG21 VAL A 74 -15.231 -12.644 4.735 1.00 73.21 H new ATOM 0 HG22 VAL A 74 -13.719 -13.569 4.577 1.00 73.21 H new ATOM 0 HG23 VAL A 74 -15.282 -14.359 4.262 1.00 73.21 H new ATOM 1063 N ALA A 75 -14.641 -16.619 4.514 1.00 71.25 N ATOM 1064 CA ALA A 75 -15.309 -17.595 3.662 1.00 70.51 C ATOM 1065 C ALA A 75 -15.027 -19.018 4.132 1.00 63.40 C ATOM 1066 O ALA A 75 -15.910 -19.876 4.113 1.00 3.11 O ATOM 1067 CB ALA A 75 -14.873 -17.419 2.215 1.00 72.32 C ATOM 0 H ALA A 75 -13.901 -16.092 4.051 1.00 71.25 H new ATOM 0 HA ALA A 75 -16.383 -17.424 3.729 1.00 70.51 H new ATOM 0 HB1 ALA A 75 -15.380 -18.155 1.590 1.00 72.32 H new ATOM 0 HB2 ALA A 75 -15.132 -16.416 1.877 1.00 72.32 H new ATOM 0 HB3 ALA A 75 -13.795 -17.561 2.140 1.00 72.32 H new ATOM 1073 N VAL A 76 -13.790 -19.263 4.553 1.00 22.20 N ATOM 1074 CA VAL A 76 -13.391 -20.583 5.029 1.00 52.55 C ATOM 1075 C VAL A 76 -13.901 -20.834 6.443 1.00 4.13 C ATOM 1076 O VAL A 76 -14.385 -21.921 6.755 1.00 35.11 O ATOM 1077 CB VAL A 76 -11.860 -20.747 5.009 1.00 21.12 C ATOM 1078 CG1 VAL A 76 -11.206 -19.778 5.982 1.00 12.24 C ATOM 1079 CG2 VAL A 76 -11.475 -22.182 5.334 1.00 65.42 C ATOM 0 H VAL A 76 -13.047 -18.565 4.574 1.00 22.20 H new ATOM 0 HA VAL A 76 -13.835 -21.312 4.352 1.00 52.55 H new ATOM 0 HB VAL A 76 -11.500 -20.516 4.007 1.00 21.12 H new ATOM 0 HG11 VAL A 76 -10.124 -19.909 5.954 1.00 12.24 H new ATOM 0 HG12 VAL A 76 -11.455 -18.755 5.700 1.00 12.24 H new ATOM 0 HG13 VAL A 76 -11.569 -19.975 6.991 1.00 12.24 H new ATOM 0 HG21 VAL A 76 -10.390 -22.281 5.316 1.00 65.42 H new ATOM 0 HG22 VAL A 76 -11.846 -22.443 6.325 1.00 65.42 H new ATOM 0 HG23 VAL A 76 -11.913 -22.853 4.595 1.00 65.42 H new ATOM 1089 N MET A 77 -13.787 -19.821 7.296 1.00 55.43 N ATOM 1090 CA MET A 77 -14.239 -19.931 8.678 1.00 24.41 C ATOM 1091 C MET A 77 -15.755 -20.081 8.745 1.00 71.43 C ATOM 1092 O MET A 77 -16.269 -21.010 9.369 1.00 54.34 O ATOM 1093 CB MET A 77 -13.800 -18.705 9.480 1.00 0.41 C ATOM 1094 CG MET A 77 -12.342 -18.747 9.906 1.00 5.33 C ATOM 1095 SD MET A 77 -12.009 -20.039 11.119 1.00 73.22 S ATOM 1096 CE MET A 77 -11.836 -19.066 12.612 1.00 1.13 C ATOM 0 H MET A 77 -13.386 -18.915 7.054 1.00 55.43 H new ATOM 0 HA MET A 77 -13.785 -20.822 9.112 1.00 24.41 H new ATOM 0 HB2 MET A 77 -13.969 -17.810 8.881 1.00 0.41 H new ATOM 0 HB3 MET A 77 -14.427 -18.618 10.367 1.00 0.41 H new ATOM 0 HG2 MET A 77 -11.716 -18.908 9.028 1.00 5.33 H new ATOM 0 HG3 MET A 77 -12.062 -17.780 10.325 1.00 5.33 H new ATOM 0 HE1 MET A 77 -11.557 -19.717 13.440 1.00 1.13 H new ATOM 0 HE2 MET A 77 -11.063 -18.311 12.467 1.00 1.13 H new ATOM 0 HE3 MET A 77 -12.783 -18.576 12.839 1.00 1.13 H new ATOM 1106 N ARG A 78 -16.465 -19.162 8.098 1.00 31.55 N ATOM 1107 CA ARG A 78 -17.923 -19.192 8.086 1.00 23.42 C ATOM 1108 C ARG A 78 -18.435 -20.471 7.429 1.00 43.44 C ATOM 1109 O ARG A 78 -19.465 -21.014 7.825 1.00 64.34 O ATOM 1110 CB ARG A 78 -18.473 -17.971 7.348 1.00 41.31 C ATOM 1111 CG ARG A 78 -19.885 -17.593 7.764 1.00 51.31 C ATOM 1112 CD ARG A 78 -20.925 -18.410 7.013 1.00 44.44 C ATOM 1113 NE ARG A 78 -22.139 -17.642 6.750 1.00 1.12 N ATOM 1114 CZ ARG A 78 -23.072 -18.016 5.882 1.00 63.14 C ATOM 1115 NH1 ARG A 78 -22.930 -19.142 5.196 1.00 50.23 N ATOM 1116 NH2 ARG A 78 -24.149 -17.264 5.698 1.00 12.21 N ATOM 0 H ARG A 78 -16.055 -18.388 7.576 1.00 31.55 H new ATOM 0 HA ARG A 78 -18.271 -19.170 9.119 1.00 23.42 H new ATOM 0 HB2 ARG A 78 -17.812 -17.122 7.524 1.00 41.31 H new ATOM 0 HB3 ARG A 78 -18.460 -18.168 6.276 1.00 41.31 H new ATOM 0 HG2 ARG A 78 -20.003 -17.749 8.836 1.00 51.31 H new ATOM 0 HG3 ARG A 78 -20.049 -16.532 7.576 1.00 51.31 H new ATOM 0 HD2 ARG A 78 -20.503 -18.755 6.069 1.00 44.44 H new ATOM 0 HD3 ARG A 78 -21.176 -19.298 7.593 1.00 44.44 H new ATOM 0 HE ARG A 78 -22.278 -16.770 7.261 1.00 1.12 H new ATOM 0 HH11 ARG A 78 -22.103 -19.723 5.335 1.00 50.23 H new ATOM 0 HH12 ARG A 78 -23.648 -19.427 4.530 1.00 50.23 H new ATOM 0 HH21 ARG A 78 -24.262 -16.397 6.224 1.00 12.21 H new ATOM 0 HH22 ARG A 78 -24.865 -17.553 5.031 1.00 12.21 H new ATOM 1130 N ASN A 79 -17.708 -20.944 6.422 1.00 42.04 N ATOM 1131 CA ASN A 79 -18.089 -22.157 5.708 1.00 30.51 C ATOM 1132 C ASN A 79 -18.089 -23.362 6.645 1.00 52.23 C ATOM 1133 O ASN A 79 -19.099 -24.051 6.788 1.00 34.51 O ATOM 1134 CB ASN A 79 -17.135 -22.407 4.538 1.00 31.22 C ATOM 1135 CG ASN A 79 -17.223 -23.827 4.014 1.00 63.42 C ATOM 1136 OD1 ASN A 79 -18.313 -24.378 3.861 1.00 21.41 O ATOM 1137 ND2 ASN A 79 -16.071 -24.427 3.736 1.00 71.25 N ATOM 0 H ASN A 79 -16.852 -20.506 6.082 1.00 42.04 H new ATOM 0 HA ASN A 79 -19.099 -22.019 5.321 1.00 30.51 H new ATOM 0 HB2 ASN A 79 -17.363 -21.710 3.731 1.00 31.22 H new ATOM 0 HB3 ASN A 79 -16.113 -22.203 4.856 1.00 31.22 H new ATOM 0 HD21 ASN A 79 -16.067 -25.383 3.380 1.00 71.25 H new ATOM 0 HD22 ASN A 79 -15.191 -23.932 3.878 1.00 71.25 H new ATOM 1144 N THR A 80 -16.949 -23.610 7.282 1.00 42.53 N ATOM 1145 CA THR A 80 -16.816 -24.730 8.204 1.00 34.11 C ATOM 1146 C THR A 80 -17.827 -24.629 9.341 1.00 51.03 C ATOM 1147 O THR A 80 -18.187 -25.633 9.956 1.00 60.24 O ATOM 1148 CB THR A 80 -15.397 -24.803 8.799 1.00 35.30 C ATOM 1149 OG1 THR A 80 -15.043 -26.167 9.054 1.00 20.11 O ATOM 1150 CG2 THR A 80 -15.309 -24.001 10.089 1.00 74.43 C ATOM 0 H THR A 80 -16.104 -23.049 7.176 1.00 42.53 H new ATOM 0 HA THR A 80 -17.008 -25.636 7.630 1.00 34.11 H new ATOM 0 HB THR A 80 -14.701 -24.376 8.077 1.00 35.30 H new ATOM 0 HG1 THR A 80 -14.139 -26.205 9.431 1.00 20.11 H new ATOM 0 HG21 THR A 80 -14.298 -24.068 10.491 1.00 74.43 H new ATOM 0 HG22 THR A 80 -15.551 -22.958 9.886 1.00 74.43 H new ATOM 0 HG23 THR A 80 -16.015 -24.402 10.816 1.00 74.43 H new ATOM 1158 N TYR A 81 -18.282 -23.412 9.615 1.00 52.52 N ATOM 1159 CA TYR A 81 -19.251 -23.179 10.679 1.00 20.44 C ATOM 1160 C TYR A 81 -20.625 -23.717 10.292 1.00 13.31 C ATOM 1161 O TYR A 81 -21.255 -24.450 11.054 1.00 44.33 O ATOM 1162 CB TYR A 81 -19.345 -21.686 10.995 1.00 54.31 C ATOM 1163 CG TYR A 81 -20.685 -21.270 11.560 1.00 3.41 C ATOM 1164 CD1 TYR A 81 -21.098 -21.705 12.813 1.00 3.22 C ATOM 1165 CD2 TYR A 81 -21.537 -20.440 10.841 1.00 63.31 C ATOM 1166 CE1 TYR A 81 -22.321 -21.328 13.333 1.00 42.31 C ATOM 1167 CE2 TYR A 81 -22.761 -20.057 11.353 1.00 10.14 C ATOM 1168 CZ TYR A 81 -23.149 -20.504 12.599 1.00 3.44 C ATOM 1169 OH TYR A 81 -24.367 -20.125 13.114 1.00 13.43 O ATOM 0 H TYR A 81 -17.995 -22.571 9.115 1.00 52.52 H new ATOM 0 HA TYR A 81 -18.911 -23.710 11.568 1.00 20.44 H new ATOM 0 HB2 TYR A 81 -18.563 -21.424 11.707 1.00 54.31 H new ATOM 0 HB3 TYR A 81 -19.151 -21.118 10.085 1.00 54.31 H new ATOM 0 HD1 TYR A 81 -20.452 -22.349 13.391 1.00 3.22 H new ATOM 0 HD2 TYR A 81 -21.237 -20.089 9.865 1.00 63.31 H new ATOM 0 HE1 TYR A 81 -22.627 -21.676 14.308 1.00 42.31 H new ATOM 0 HE2 TYR A 81 -23.411 -19.411 10.781 1.00 10.14 H new ATOM 0 HH TYR A 81 -24.337 -19.177 13.361 1.00 13.43 H new ATOM 1179 N ASN A 82 -21.084 -23.346 9.101 1.00 31.20 N ATOM 1180 CA ASN A 82 -22.384 -23.790 8.611 1.00 62.24 C ATOM 1181 C ASN A 82 -22.325 -25.245 8.155 1.00 73.01 C ATOM 1182 O ASN A 82 -23.343 -25.937 8.115 1.00 14.10 O ATOM 1183 CB ASN A 82 -22.847 -22.900 7.455 1.00 35.55 C ATOM 1184 CG ASN A 82 -24.280 -23.185 7.045 1.00 5.14 C ATOM 1185 OD1 ASN A 82 -25.216 -22.568 7.552 1.00 13.41 O ATOM 1186 ND2 ASN A 82 -24.455 -24.124 6.123 1.00 32.11 N ATOM 0 H ASN A 82 -20.575 -22.739 8.458 1.00 31.20 H new ATOM 0 HA ASN A 82 -23.099 -23.713 9.430 1.00 62.24 H new ATOM 0 HB2 ASN A 82 -22.756 -21.854 7.747 1.00 35.55 H new ATOM 0 HB3 ASN A 82 -22.190 -23.050 6.598 1.00 35.55 H new ATOM 0 HD21 ASN A 82 -25.396 -24.360 5.807 1.00 32.11 H new ATOM 0 HD22 ASN A 82 -23.649 -24.610 5.730 1.00 32.11 H new ATOM 1193 N THR A 83 -21.126 -25.704 7.812 1.00 63.31 N ATOM 1194 CA THR A 83 -20.933 -27.076 7.359 1.00 54.04 C ATOM 1195 C THR A 83 -20.853 -28.039 8.538 1.00 42.42 C ATOM 1196 O THR A 83 -21.527 -29.069 8.558 1.00 42.44 O ATOM 1197 CB THR A 83 -19.655 -27.213 6.510 1.00 32.31 C ATOM 1198 OG1 THR A 83 -19.959 -26.997 5.128 1.00 53.24 O ATOM 1199 CG2 THR A 83 -19.033 -28.590 6.688 1.00 3.11 C ATOM 0 H THR A 83 -20.273 -25.145 7.839 1.00 63.31 H new ATOM 0 HA THR A 83 -21.797 -27.330 6.745 1.00 54.04 H new ATOM 0 HB THR A 83 -18.940 -26.462 6.846 1.00 32.31 H new ATOM 0 HG1 THR A 83 -19.445 -26.231 4.796 1.00 53.24 H new ATOM 0 HG21 THR A 83 -18.132 -28.664 6.079 1.00 3.11 H new ATOM 0 HG22 THR A 83 -18.776 -28.740 7.736 1.00 3.11 H new ATOM 0 HG23 THR A 83 -19.745 -29.354 6.376 1.00 3.11 H new ATOM 1207 N ARG A 84 -20.025 -27.696 9.519 1.00 23.54 N ATOM 1208 CA ARG A 84 -19.856 -28.531 10.703 1.00 70.55 C ATOM 1209 C ARG A 84 -21.147 -28.593 11.513 1.00 75.31 C ATOM 1210 O ARG A 84 -21.527 -29.651 12.017 1.00 51.50 O ATOM 1211 CB ARG A 84 -18.720 -27.994 11.574 1.00 24.13 C ATOM 1212 CG ARG A 84 -17.339 -28.208 10.975 1.00 11.13 C ATOM 1213 CD ARG A 84 -16.674 -29.453 11.540 1.00 24.21 C ATOM 1214 NE ARG A 84 -15.328 -29.177 12.036 1.00 20.51 N ATOM 1215 CZ ARG A 84 -15.080 -28.476 13.136 1.00 2.34 C ATOM 1216 NH1 ARG A 84 -16.081 -27.982 13.852 1.00 40.24 N ATOM 1217 NH2 ARG A 84 -13.828 -28.267 13.523 1.00 22.35 N ATOM 0 H ARG A 84 -19.461 -26.846 9.518 1.00 23.54 H new ATOM 0 HA ARG A 84 -19.606 -29.539 10.373 1.00 70.55 H new ATOM 0 HB2 ARG A 84 -18.874 -26.928 11.740 1.00 24.13 H new ATOM 0 HB3 ARG A 84 -18.762 -28.477 12.550 1.00 24.13 H new ATOM 0 HG2 ARG A 84 -17.421 -28.298 9.892 1.00 11.13 H new ATOM 0 HG3 ARG A 84 -16.715 -27.337 11.177 1.00 11.13 H new ATOM 0 HD2 ARG A 84 -17.284 -29.854 12.350 1.00 24.21 H new ATOM 0 HD3 ARG A 84 -16.625 -30.220 10.767 1.00 24.21 H new ATOM 0 HE ARG A 84 -14.535 -29.543 11.508 1.00 20.51 H new ATOM 0 HH11 ARG A 84 -17.045 -28.140 13.558 1.00 40.24 H new ATOM 0 HH12 ARG A 84 -15.887 -27.444 14.697 1.00 40.24 H new ATOM 0 HH21 ARG A 84 -13.055 -28.645 12.975 1.00 22.35 H new ATOM 0 HH22 ARG A 84 -13.639 -27.728 14.368 1.00 22.35 H new ATOM 1231 N LYS A 85 -21.819 -27.453 11.635 1.00 64.03 N ATOM 1232 CA LYS A 85 -23.068 -27.376 12.383 1.00 62.03 C ATOM 1233 C LYS A 85 -24.195 -28.077 11.632 1.00 34.43 C ATOM 1234 O LYS A 85 -25.160 -28.543 12.237 1.00 14.40 O ATOM 1235 CB LYS A 85 -23.443 -25.915 12.639 1.00 12.24 C ATOM 1236 CG LYS A 85 -24.038 -25.218 11.428 1.00 41.20 C ATOM 1237 CD LYS A 85 -24.314 -23.750 11.709 1.00 74.31 C ATOM 1238 CE LYS A 85 -25.306 -23.169 10.712 1.00 24.22 C ATOM 1239 NZ LYS A 85 -26.632 -22.908 11.337 1.00 21.20 N ATOM 0 H LYS A 85 -21.519 -26.569 11.225 1.00 64.03 H new ATOM 0 HA LYS A 85 -22.923 -27.880 13.338 1.00 62.03 H new ATOM 0 HB2 LYS A 85 -24.158 -25.871 13.461 1.00 12.24 H new ATOM 0 HB3 LYS A 85 -22.554 -25.372 12.960 1.00 12.24 H new ATOM 0 HG2 LYS A 85 -23.354 -25.305 10.584 1.00 41.20 H new ATOM 0 HG3 LYS A 85 -24.964 -25.715 11.140 1.00 41.20 H new ATOM 0 HD2 LYS A 85 -24.706 -23.639 12.720 1.00 74.31 H new ATOM 0 HD3 LYS A 85 -23.381 -23.188 11.665 1.00 74.31 H new ATOM 0 HE2 LYS A 85 -24.908 -22.240 10.303 1.00 24.22 H new ATOM 0 HE3 LYS A 85 -25.428 -23.859 9.877 1.00 24.22 H new ATOM 0 HZ1 LYS A 85 -27.279 -22.513 10.625 1.00 21.20 H new ATOM 0 HZ2 LYS A 85 -27.024 -23.798 11.705 1.00 21.20 H new ATOM 0 HZ3 LYS A 85 -26.520 -22.230 12.118 1.00 21.20 H new ATOM 1253 N ASN A 86 -24.065 -28.150 10.312 1.00 74.44 N ATOM 1254 CA ASN A 86 -25.074 -28.796 9.479 1.00 63.31 C ATOM 1255 C ASN A 86 -25.216 -30.271 9.842 1.00 21.23 C ATOM 1256 O ASN A 86 -26.323 -30.808 9.879 1.00 4.13 O ATOM 1257 CB ASN A 86 -24.709 -28.657 8.000 1.00 41.14 C ATOM 1258 CG ASN A 86 -25.709 -27.811 7.235 1.00 45.21 C ATOM 1259 OD1 ASN A 86 -26.145 -26.763 7.711 1.00 4.25 O ATOM 1260 ND2 ASN A 86 -26.077 -28.264 6.042 1.00 4.40 N ATOM 0 H ASN A 86 -23.272 -27.770 9.796 1.00 74.44 H new ATOM 0 HA ASN A 86 -26.029 -28.302 9.659 1.00 63.31 H new ATOM 0 HB2 ASN A 86 -23.718 -28.211 7.913 1.00 41.14 H new ATOM 0 HB3 ASN A 86 -24.653 -29.647 7.548 1.00 41.14 H new ATOM 0 HD21 ASN A 86 -26.747 -27.738 5.481 1.00 4.40 H new ATOM 0 HD22 ASN A 86 -25.690 -29.138 5.687 1.00 4.40 H new ATOM 1267 N ALA A 87 -24.088 -30.920 10.110 1.00 24.44 N ATOM 1268 CA ALA A 87 -24.086 -32.332 10.474 1.00 53.04 C ATOM 1269 C ALA A 87 -24.638 -32.538 11.880 1.00 15.41 C ATOM 1270 O ALA A 87 -25.334 -33.517 12.148 1.00 71.42 O ATOM 1271 CB ALA A 87 -22.680 -32.903 10.368 1.00 2.21 C ATOM 0 H ALA A 87 -23.163 -30.491 10.082 1.00 24.44 H new ATOM 0 HA ALA A 87 -24.735 -32.862 9.776 1.00 53.04 H new ATOM 0 HB1 ALA A 87 -22.694 -33.958 10.643 1.00 2.21 H new ATOM 0 HB2 ALA A 87 -22.322 -32.799 9.344 1.00 2.21 H new ATOM 0 HB3 ALA A 87 -22.016 -32.361 11.041 1.00 2.21 H new ATOM 1277 N VAL A 88 -24.324 -31.608 12.776 1.00 4.33 N ATOM 1278 CA VAL A 88 -24.789 -31.687 14.156 1.00 42.12 C ATOM 1279 C VAL A 88 -26.310 -31.625 14.227 1.00 14.51 C ATOM 1280 O VAL A 88 -26.947 -32.448 14.885 1.00 31.20 O ATOM 1281 CB VAL A 88 -24.199 -30.552 15.013 1.00 3.52 C ATOM 1282 CG1 VAL A 88 -24.718 -30.635 16.441 1.00 42.05 C ATOM 1283 CG2 VAL A 88 -22.678 -30.599 14.986 1.00 35.13 C ATOM 0 H VAL A 88 -23.749 -30.791 12.571 1.00 4.33 H new ATOM 0 HA VAL A 88 -24.448 -32.644 14.551 1.00 42.12 H new ATOM 0 HB VAL A 88 -24.518 -29.599 14.591 1.00 3.52 H new ATOM 0 HG11 VAL A 88 -24.290 -29.825 17.031 1.00 42.05 H new ATOM 0 HG12 VAL A 88 -25.804 -30.548 16.439 1.00 42.05 H new ATOM 0 HG13 VAL A 88 -24.432 -31.592 16.877 1.00 42.05 H new ATOM 0 HG21 VAL A 88 -22.278 -29.790 15.597 1.00 35.13 H new ATOM 0 HG22 VAL A 88 -22.336 -31.555 15.382 1.00 35.13 H new ATOM 0 HG23 VAL A 88 -22.329 -30.486 13.960 1.00 35.13 H new ATOM 1293 N THR A 89 -26.890 -30.642 13.545 1.00 43.53 N ATOM 1294 CA THR A 89 -28.337 -30.470 13.531 1.00 61.54 C ATOM 1295 C THR A 89 -29.016 -31.595 12.757 1.00 30.15 C ATOM 1296 O THR A 89 -30.181 -31.910 12.997 1.00 54.23 O ATOM 1297 CB THR A 89 -28.737 -29.120 12.907 1.00 1.13 C ATOM 1298 OG1 THR A 89 -30.151 -28.925 13.026 1.00 5.12 O ATOM 1299 CG2 THR A 89 -28.333 -29.059 11.442 1.00 71.52 C ATOM 0 H THR A 89 -26.379 -29.952 12.995 1.00 43.53 H new ATOM 0 HA THR A 89 -28.668 -30.494 14.569 1.00 61.54 H new ATOM 0 HB THR A 89 -28.215 -28.328 13.444 1.00 1.13 H new ATOM 0 HG1 THR A 89 -30.397 -28.064 12.628 1.00 5.12 H new ATOM 0 HG21 THR A 89 -28.626 -28.096 11.024 1.00 71.52 H new ATOM 0 HG22 THR A 89 -27.253 -29.178 11.357 1.00 71.52 H new ATOM 0 HG23 THR A 89 -28.830 -29.859 10.894 1.00 71.52 H new ATOM 1307 N ALA A 90 -28.280 -32.198 11.830 1.00 45.11 N ATOM 1308 CA ALA A 90 -28.810 -33.290 11.023 1.00 15.15 C ATOM 1309 C ALA A 90 -28.630 -34.630 11.728 1.00 74.42 C ATOM 1310 O ALA A 90 -28.821 -35.689 11.127 1.00 43.41 O ATOM 1311 CB ALA A 90 -28.138 -33.314 9.659 1.00 42.20 C ATOM 0 H ALA A 90 -27.314 -31.949 11.619 1.00 45.11 H new ATOM 0 HA ALA A 90 -29.878 -33.122 10.885 1.00 15.15 H new ATOM 0 HB1 ALA A 90 -28.544 -34.135 9.068 1.00 42.20 H new ATOM 0 HB2 ALA A 90 -28.323 -32.371 9.146 1.00 42.20 H new ATOM 0 HB3 ALA A 90 -27.064 -33.454 9.785 1.00 42.20 H new TER 1317 ALA A 90