USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.27) USER MOD Set 2.1: A 29 TYR OH : rot 168:sc= 1.15 USER MOD Set 2.2: A 97 THR OG1 : rot 143:sc= 0.978 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0857 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 0.216 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= -0.0127 (180deg=-0.179) USER MOD Single : A 33 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-9.7!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0617 USER MOD Single : A 47 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.015) USER MOD Single : A 53 THR OG1 : rot -34:sc= 1.61 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.665 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 67 SER OG : rot 105:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= -0.0832 K(o=-0.083,f=-0.75) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 84:sc= 0.0114 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.837 USER MOD Single : A 80 ASN : amide:sc= -5.42! C(o=-5.4!,f=-5.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 90:sc= -0.183 USER MOD Single : A 89 HIS : no HE2:sc= -0.0269 K(o=0.73,f=-3.9!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.370 -5.365 -13.665 1.00 62.01 N ATOM 64 CA VAL A 7 3.200 -5.114 -14.497 1.00 73.11 C ATOM 65 C VAL A 7 2.203 -4.205 -13.785 1.00 51.44 C ATOM 66 O VAL A 7 1.989 -3.063 -14.191 1.00 24.13 O ATOM 67 CB VAL A 7 2.494 -6.427 -14.885 1.00 11.11 C ATOM 68 CG1 VAL A 7 1.285 -6.144 -15.763 1.00 34.40 C ATOM 69 CG2 VAL A 7 3.464 -7.365 -15.586 1.00 54.15 C ATOM 0 HA VAL A 7 3.556 -4.621 -15.401 1.00 73.11 H new ATOM 0 HB VAL A 7 2.145 -6.915 -13.975 1.00 11.11 H new ATOM 0 HG11 VAL A 7 0.799 -7.083 -16.027 1.00 34.40 H new ATOM 0 HG12 VAL A 7 0.582 -5.512 -15.221 1.00 34.40 H new ATOM 0 HG13 VAL A 7 1.606 -5.634 -16.671 1.00 34.40 H new ATOM 0 HG21 VAL A 7 2.949 -8.288 -15.853 1.00 54.15 H new ATOM 0 HG22 VAL A 7 3.844 -6.887 -16.489 1.00 54.15 H new ATOM 0 HG23 VAL A 7 4.295 -7.594 -14.919 1.00 54.15 H new ATOM 79 N LEU A 8 1.599 -4.721 -12.720 1.00 14.13 N ATOM 80 CA LEU A 8 0.624 -3.955 -11.950 1.00 53.22 C ATOM 81 C LEU A 8 1.274 -3.329 -10.720 1.00 44.15 C ATOM 82 O LEU A 8 1.859 -4.028 -9.891 1.00 21.24 O ATOM 83 CB LEU A 8 -0.538 -4.854 -11.525 1.00 33.03 C ATOM 84 CG LEU A 8 -1.357 -5.473 -12.659 1.00 30.11 C ATOM 85 CD1 LEU A 8 -2.455 -6.363 -12.100 1.00 62.03 C ATOM 86 CD2 LEU A 8 -1.948 -4.386 -13.545 1.00 43.33 C ATOM 0 H LEU A 8 1.766 -5.664 -12.370 1.00 14.13 H new ATOM 0 HA LEU A 8 0.243 -3.155 -12.584 1.00 53.22 H new ATOM 0 HB2 LEU A 8 -0.141 -5.660 -10.908 1.00 33.03 H new ATOM 0 HB3 LEU A 8 -1.210 -4.272 -10.894 1.00 33.03 H new ATOM 0 HG LEU A 8 -0.693 -6.088 -13.267 1.00 30.11 H new ATOM 0 HD11 LEU A 8 -3.027 -6.794 -12.921 1.00 62.03 H new ATOM 0 HD12 LEU A 8 -2.009 -7.163 -11.509 1.00 62.03 H new ATOM 0 HD13 LEU A 8 -3.117 -5.771 -11.468 1.00 62.03 H new ATOM 0 HD21 LEU A 8 -2.527 -4.845 -14.346 1.00 43.33 H new ATOM 0 HD22 LEU A 8 -2.597 -3.744 -12.949 1.00 43.33 H new ATOM 0 HD23 LEU A 8 -1.143 -3.789 -13.975 1.00 43.33 H new ATOM 98 N SER A 9 1.165 -2.010 -10.605 1.00 33.21 N ATOM 99 CA SER A 9 1.744 -1.290 -9.477 1.00 65.42 C ATOM 100 C SER A 9 0.992 -1.608 -8.188 1.00 43.22 C ATOM 101 O SER A 9 0.141 -2.495 -8.154 1.00 61.55 O ATOM 102 CB SER A 9 1.715 0.217 -9.739 1.00 4.42 C ATOM 103 OG SER A 9 0.554 0.809 -9.182 1.00 31.13 O ATOM 0 H SER A 9 0.681 -1.418 -11.279 1.00 33.21 H new ATOM 0 HA SER A 9 2.779 -1.612 -9.363 1.00 65.42 H new ATOM 0 HB2 SER A 9 2.604 0.681 -9.312 1.00 4.42 H new ATOM 0 HB3 SER A 9 1.743 0.403 -10.813 1.00 4.42 H new ATOM 0 HG SER A 9 0.560 1.772 -9.361 1.00 31.13 H new ATOM 109 N GLY A 10 1.315 -0.876 -7.126 1.00 12.51 N ATOM 110 CA GLY A 10 0.663 -1.094 -5.848 1.00 55.44 C ATOM 111 C GLY A 10 -0.842 -0.936 -5.930 1.00 0.15 C ATOM 112 O GLY A 10 -1.590 -1.814 -5.505 1.00 41.24 O ATOM 0 H GLY A 10 2.017 -0.136 -7.128 1.00 12.51 H new ATOM 0 HA2 GLY A 10 0.901 -2.095 -5.488 1.00 55.44 H new ATOM 0 HA3 GLY A 10 1.060 -0.390 -5.117 1.00 55.44 H new ATOM 116 N GLY A 11 -1.288 0.192 -6.478 1.00 42.05 N ATOM 117 CA GLY A 11 -2.711 0.443 -6.603 1.00 33.30 C ATOM 118 C GLY A 11 -3.394 -0.536 -7.539 1.00 43.52 C ATOM 119 O GLY A 11 -4.496 -1.004 -7.259 1.00 32.53 O ATOM 0 H GLY A 11 -0.689 0.935 -6.837 1.00 42.05 H new ATOM 0 HA2 GLY A 11 -3.175 0.383 -5.618 1.00 33.30 H new ATOM 0 HA3 GLY A 11 -2.867 1.458 -6.968 1.00 33.30 H new ATOM 123 N GLU A 12 -2.736 -0.844 -8.652 1.00 44.15 N ATOM 124 CA GLU A 12 -3.288 -1.773 -9.632 1.00 50.32 C ATOM 125 C GLU A 12 -3.365 -3.185 -9.060 1.00 64.44 C ATOM 126 O GLU A 12 -4.271 -3.952 -9.391 1.00 54.04 O ATOM 127 CB GLU A 12 -2.436 -1.772 -10.903 1.00 60.20 C ATOM 128 CG GLU A 12 -2.099 -0.380 -11.409 1.00 13.50 C ATOM 129 CD GLU A 12 -1.465 -0.397 -12.786 1.00 24.20 C ATOM 130 OE1 GLU A 12 -0.301 -0.835 -12.897 1.00 73.14 O ATOM 131 OE2 GLU A 12 -2.132 0.028 -13.753 1.00 45.22 O ATOM 0 H GLU A 12 -1.822 -0.465 -8.898 1.00 44.15 H new ATOM 0 HA GLU A 12 -4.298 -1.444 -9.879 1.00 50.32 H new ATOM 0 HB2 GLU A 12 -1.510 -2.313 -10.710 1.00 60.20 H new ATOM 0 HB3 GLU A 12 -2.965 -2.316 -11.686 1.00 60.20 H new ATOM 0 HG2 GLU A 12 -3.008 0.221 -11.439 1.00 13.50 H new ATOM 0 HG3 GLU A 12 -1.420 0.103 -10.707 1.00 13.50 H new ATOM 138 N LEU A 13 -2.411 -3.523 -8.199 1.00 74.41 N ATOM 139 CA LEU A 13 -2.371 -4.843 -7.581 1.00 5.11 C ATOM 140 C LEU A 13 -3.603 -5.075 -6.712 1.00 63.15 C ATOM 141 O LEU A 13 -4.255 -6.115 -6.808 1.00 70.24 O ATOM 142 CB LEU A 13 -1.103 -4.994 -6.739 1.00 43.44 C ATOM 143 CG LEU A 13 -0.738 -6.421 -6.326 1.00 22.02 C ATOM 144 CD1 LEU A 13 -0.495 -7.286 -7.553 1.00 41.34 C ATOM 145 CD2 LEU A 13 0.486 -6.418 -5.422 1.00 22.44 C ATOM 0 H LEU A 13 -1.655 -2.901 -7.913 1.00 74.41 H new ATOM 0 HA LEU A 13 -2.364 -5.590 -8.375 1.00 5.11 H new ATOM 0 HB2 LEU A 13 -0.267 -4.574 -7.298 1.00 43.44 H new ATOM 0 HB3 LEU A 13 -1.216 -4.394 -5.836 1.00 43.44 H new ATOM 0 HG LEU A 13 -1.575 -6.843 -5.769 1.00 22.02 H new ATOM 0 HD11 LEU A 13 -0.237 -8.298 -7.240 1.00 41.34 H new ATOM 0 HD12 LEU A 13 -1.398 -7.315 -8.163 1.00 41.34 H new ATOM 0 HD13 LEU A 13 0.324 -6.867 -8.137 1.00 41.34 H new ATOM 0 HD21 LEU A 13 0.731 -7.441 -5.138 1.00 22.44 H new ATOM 0 HD22 LEU A 13 1.329 -5.977 -5.953 1.00 22.44 H new ATOM 0 HD23 LEU A 13 0.275 -5.834 -4.526 1.00 22.44 H new ATOM 157 N ASP A 14 -3.916 -4.100 -5.865 1.00 74.03 N ATOM 158 CA ASP A 14 -5.071 -4.197 -4.982 1.00 24.03 C ATOM 159 C ASP A 14 -6.342 -4.486 -5.776 1.00 14.54 C ATOM 160 O ASP A 14 -7.070 -5.433 -5.482 1.00 42.22 O ATOM 161 CB ASP A 14 -5.238 -2.904 -4.182 1.00 61.23 C ATOM 162 CG ASP A 14 -5.933 -3.130 -2.854 1.00 43.10 C ATOM 163 OD1 ASP A 14 -7.150 -3.408 -2.862 1.00 62.43 O ATOM 164 OD2 ASP A 14 -5.260 -3.028 -1.806 1.00 62.43 O ATOM 0 H ASP A 14 -3.385 -3.234 -5.772 1.00 74.03 H new ATOM 0 HA ASP A 14 -4.900 -5.023 -4.292 1.00 24.03 H new ATOM 0 HB2 ASP A 14 -4.258 -2.461 -4.005 1.00 61.23 H new ATOM 0 HB3 ASP A 14 -5.810 -2.187 -4.771 1.00 61.23 H new ATOM 169 N LYS A 15 -6.601 -3.660 -6.786 1.00 44.34 N ATOM 170 CA LYS A 15 -7.782 -3.826 -7.624 1.00 43.13 C ATOM 171 C LYS A 15 -7.733 -5.151 -8.378 1.00 24.02 C ATOM 172 O LYS A 15 -8.747 -5.837 -8.510 1.00 71.34 O ATOM 173 CB LYS A 15 -7.895 -2.667 -8.617 1.00 24.03 C ATOM 174 CG LYS A 15 -9.285 -2.057 -8.685 1.00 34.20 C ATOM 175 CD LYS A 15 -9.500 -1.032 -7.584 1.00 41.14 C ATOM 176 CE LYS A 15 -10.463 -1.546 -6.525 1.00 40.22 C ATOM 177 NZ LYS A 15 -11.880 -1.249 -6.873 1.00 41.31 N ATOM 0 H LYS A 15 -6.009 -2.870 -7.043 1.00 44.34 H new ATOM 0 HA LYS A 15 -8.658 -3.829 -6.976 1.00 43.13 H new ATOM 0 HB2 LYS A 15 -7.180 -1.892 -8.341 1.00 24.03 H new ATOM 0 HB3 LYS A 15 -7.614 -3.021 -9.609 1.00 24.03 H new ATOM 0 HG2 LYS A 15 -9.428 -1.584 -9.656 1.00 34.20 H new ATOM 0 HG3 LYS A 15 -10.033 -2.845 -8.601 1.00 34.20 H new ATOM 0 HD2 LYS A 15 -8.544 -0.788 -7.121 1.00 41.14 H new ATOM 0 HD3 LYS A 15 -9.890 -0.110 -8.015 1.00 41.14 H new ATOM 0 HE2 LYS A 15 -10.335 -2.622 -6.410 1.00 40.22 H new ATOM 0 HE3 LYS A 15 -10.222 -1.092 -5.564 1.00 40.22 H new ATOM 0 HZ1 LYS A 15 -12.481 -2.050 -6.593 1.00 41.31 H new ATOM 0 HZ2 LYS A 15 -12.189 -0.392 -6.370 1.00 41.31 H new ATOM 0 HZ3 LYS A 15 -11.961 -1.097 -7.899 1.00 41.31 H new ATOM 191 N TRP A 16 -6.551 -5.504 -8.867 1.00 73.04 N ATOM 192 CA TRP A 16 -6.370 -6.748 -9.607 1.00 63.33 C ATOM 193 C TRP A 16 -6.858 -7.941 -8.792 1.00 51.32 C ATOM 194 O TRP A 16 -7.683 -8.727 -9.257 1.00 12.33 O ATOM 195 CB TRP A 16 -4.899 -6.936 -9.980 1.00 41.02 C ATOM 196 CG TRP A 16 -4.621 -8.241 -10.663 1.00 45.32 C ATOM 197 CD1 TRP A 16 -4.136 -9.380 -10.086 1.00 61.12 C ATOM 198 CD2 TRP A 16 -4.808 -8.539 -12.050 1.00 63.24 C ATOM 199 NE1 TRP A 16 -4.012 -10.370 -11.032 1.00 11.33 N ATOM 200 CE2 TRP A 16 -4.418 -9.879 -12.244 1.00 10.32 C ATOM 201 CE3 TRP A 16 -5.269 -7.806 -13.147 1.00 25.41 C ATOM 202 CZ2 TRP A 16 -4.475 -10.497 -13.491 1.00 23.04 C ATOM 203 CZ3 TRP A 16 -5.325 -8.421 -14.383 1.00 22.00 C ATOM 204 CH2 TRP A 16 -4.931 -9.756 -14.547 1.00 41.41 C ATOM 0 H TRP A 16 -5.703 -4.947 -8.765 1.00 73.04 H new ATOM 0 HA TRP A 16 -6.963 -6.688 -10.520 1.00 63.33 H new ATOM 0 HB2 TRP A 16 -4.590 -6.120 -10.633 1.00 41.02 H new ATOM 0 HB3 TRP A 16 -4.291 -6.870 -9.077 1.00 41.02 H new ATOM 0 HD1 TRP A 16 -3.887 -9.487 -9.041 1.00 61.12 H new ATOM 0 HE1 TRP A 16 -3.673 -11.316 -10.859 1.00 11.33 H new ATOM 0 HE3 TRP A 16 -5.576 -6.777 -13.031 1.00 25.41 H new ATOM 0 HZ2 TRP A 16 -4.170 -11.525 -13.620 1.00 23.04 H new ATOM 0 HZ3 TRP A 16 -5.679 -7.863 -15.238 1.00 22.00 H new ATOM 0 HH2 TRP A 16 -4.988 -10.209 -15.526 1.00 41.41 H new ATOM 215 N GLU A 17 -6.341 -8.071 -7.574 1.00 43.34 N ATOM 216 CA GLU A 17 -6.723 -9.170 -6.695 1.00 33.43 C ATOM 217 C GLU A 17 -8.228 -9.163 -6.439 1.00 71.24 C ATOM 218 O GLU A 17 -8.824 -10.199 -6.145 1.00 4.40 O ATOM 219 CB GLU A 17 -5.969 -9.078 -5.367 1.00 11.03 C ATOM 220 CG GLU A 17 -4.501 -9.456 -5.474 1.00 61.34 C ATOM 221 CD GLU A 17 -3.862 -9.700 -4.121 1.00 51.43 C ATOM 222 OE1 GLU A 17 -4.443 -9.266 -3.104 1.00 41.00 O ATOM 223 OE2 GLU A 17 -2.782 -10.325 -4.078 1.00 41.42 O ATOM 0 H GLU A 17 -5.657 -7.429 -7.174 1.00 43.34 H new ATOM 0 HA GLU A 17 -6.459 -10.105 -7.190 1.00 33.43 H new ATOM 0 HB2 GLU A 17 -6.047 -8.060 -4.984 1.00 11.03 H new ATOM 0 HB3 GLU A 17 -6.451 -9.730 -4.639 1.00 11.03 H new ATOM 0 HG2 GLU A 17 -4.404 -10.354 -6.085 1.00 61.34 H new ATOM 0 HG3 GLU A 17 -3.961 -8.661 -5.989 1.00 61.34 H new ATOM 230 N LYS A 18 -8.836 -7.987 -6.553 1.00 54.04 N ATOM 231 CA LYS A 18 -10.271 -7.842 -6.335 1.00 52.40 C ATOM 232 C LYS A 18 -11.058 -8.365 -7.532 1.00 43.01 C ATOM 233 O LYS A 18 -11.995 -9.148 -7.376 1.00 0.01 O ATOM 234 CB LYS A 18 -10.623 -6.375 -6.080 1.00 74.04 C ATOM 235 CG LYS A 18 -11.721 -6.183 -5.048 1.00 75.53 C ATOM 236 CD LYS A 18 -11.360 -5.102 -4.046 1.00 4.45 C ATOM 237 CE LYS A 18 -12.350 -5.060 -2.891 1.00 20.31 C ATOM 238 NZ LYS A 18 -12.343 -3.739 -2.202 1.00 21.31 N ATOM 0 H LYS A 18 -8.357 -7.120 -6.795 1.00 54.04 H new ATOM 0 HA LYS A 18 -10.542 -8.431 -5.459 1.00 52.40 H new ATOM 0 HB2 LYS A 18 -9.728 -5.848 -5.749 1.00 74.04 H new ATOM 0 HB3 LYS A 18 -10.934 -5.916 -7.019 1.00 74.04 H new ATOM 0 HG2 LYS A 18 -12.652 -5.919 -5.550 1.00 75.53 H new ATOM 0 HG3 LYS A 18 -11.897 -7.122 -4.524 1.00 75.53 H new ATOM 0 HD2 LYS A 18 -10.357 -5.282 -3.660 1.00 4.45 H new ATOM 0 HD3 LYS A 18 -11.340 -4.133 -4.545 1.00 4.45 H new ATOM 0 HE2 LYS A 18 -13.352 -5.270 -3.264 1.00 20.31 H new ATOM 0 HE3 LYS A 18 -12.106 -5.845 -2.175 1.00 20.31 H new ATOM 0 HZ1 LYS A 18 -13.030 -3.751 -1.422 1.00 21.31 H new ATOM 0 HZ2 LYS A 18 -11.393 -3.550 -1.824 1.00 21.31 H new ATOM 0 HZ3 LYS A 18 -12.601 -2.993 -2.879 1.00 21.31 H new ATOM 252 N ILE A 19 -10.670 -7.929 -8.726 1.00 42.12 N ATOM 253 CA ILE A 19 -11.338 -8.356 -9.949 1.00 63.42 C ATOM 254 C ILE A 19 -11.435 -9.876 -10.021 1.00 15.22 C ATOM 255 O ILE A 19 -10.490 -10.585 -9.675 1.00 55.03 O ATOM 256 CB ILE A 19 -10.606 -7.839 -11.201 1.00 22.55 C ATOM 257 CG1 ILE A 19 -10.523 -6.312 -11.175 1.00 33.35 C ATOM 258 CG2 ILE A 19 -11.311 -8.315 -12.462 1.00 43.15 C ATOM 259 CD1 ILE A 19 -9.161 -5.773 -11.551 1.00 53.14 C ATOM 0 H ILE A 19 -9.897 -7.280 -8.872 1.00 42.12 H new ATOM 0 HA ILE A 19 -12.342 -7.931 -9.924 1.00 63.42 H new ATOM 0 HB ILE A 19 -9.592 -8.240 -11.202 1.00 22.55 H new ATOM 0 HG12 ILE A 19 -11.267 -5.904 -11.859 1.00 33.35 H new ATOM 0 HG13 ILE A 19 -10.781 -5.959 -10.176 1.00 33.35 H new ATOM 0 HG21 ILE A 19 -10.781 -7.941 -13.338 1.00 43.15 H new ATOM 0 HG22 ILE A 19 -11.323 -9.405 -12.483 1.00 43.15 H new ATOM 0 HG23 ILE A 19 -12.335 -7.941 -12.470 1.00 43.15 H new ATOM 0 HD11 ILE A 19 -9.177 -4.684 -11.511 1.00 53.14 H new ATOM 0 HD12 ILE A 19 -8.415 -6.151 -10.852 1.00 53.14 H new ATOM 0 HD13 ILE A 19 -8.908 -6.095 -12.561 1.00 53.14 H new ATOM 271 N ARG A 20 -12.582 -10.371 -10.474 1.00 11.13 N ATOM 272 CA ARG A 20 -12.802 -11.807 -10.593 1.00 31.02 C ATOM 273 C ARG A 20 -12.694 -12.255 -12.047 1.00 32.53 C ATOM 274 O ARG A 20 -12.998 -11.493 -12.967 1.00 63.53 O ATOM 275 CB ARG A 20 -14.175 -12.182 -10.033 1.00 4.11 C ATOM 276 CG ARG A 20 -14.137 -12.641 -8.584 1.00 71.33 C ATOM 277 CD ARG A 20 -13.863 -11.483 -7.639 1.00 13.34 C ATOM 278 NE ARG A 20 -14.606 -11.608 -6.388 1.00 14.13 N ATOM 279 CZ ARG A 20 -15.909 -11.380 -6.282 1.00 21.15 C ATOM 280 NH1 ARG A 20 -16.611 -11.015 -7.347 1.00 2.22 N ATOM 281 NH2 ARG A 20 -16.515 -11.515 -5.109 1.00 13.30 N ATOM 0 H ARG A 20 -13.374 -9.798 -10.765 1.00 11.13 H new ATOM 0 HA ARG A 20 -12.030 -12.316 -10.016 1.00 31.02 H new ATOM 0 HB2 ARG A 20 -14.839 -11.322 -10.115 1.00 4.11 H new ATOM 0 HB3 ARG A 20 -14.604 -12.975 -10.646 1.00 4.11 H new ATOM 0 HG2 ARG A 20 -15.088 -13.107 -8.324 1.00 71.33 H new ATOM 0 HG3 ARG A 20 -13.366 -13.401 -8.462 1.00 71.33 H new ATOM 0 HD2 ARG A 20 -12.796 -11.436 -7.423 1.00 13.34 H new ATOM 0 HD3 ARG A 20 -14.131 -10.546 -8.127 1.00 13.34 H new ATOM 0 HE ARG A 20 -14.095 -11.886 -5.550 1.00 14.13 H new ATOM 0 HH11 ARG A 20 -16.149 -10.909 -8.250 1.00 2.22 H new ATOM 0 HH12 ARG A 20 -17.612 -10.840 -7.262 1.00 2.22 H new ATOM 0 HH21 ARG A 20 -15.979 -11.794 -4.287 1.00 13.30 H new ATOM 0 HH22 ARG A 20 -17.517 -11.339 -5.029 1.00 13.30 H new ATOM 295 N LEU A 21 -12.259 -13.494 -12.248 1.00 14.20 N ATOM 296 CA LEU A 21 -12.110 -14.043 -13.592 1.00 60.14 C ATOM 297 C LEU A 21 -13.445 -14.049 -14.329 1.00 64.20 C ATOM 298 O LEU A 21 -13.492 -13.916 -15.552 1.00 51.11 O ATOM 299 CB LEU A 21 -11.547 -15.464 -13.522 1.00 53.11 C ATOM 300 CG LEU A 21 -10.288 -15.646 -12.674 1.00 55.11 C ATOM 301 CD1 LEU A 21 -10.060 -17.118 -12.364 1.00 34.42 C ATOM 302 CD2 LEU A 21 -9.076 -15.055 -13.383 1.00 24.42 C ATOM 0 H LEU A 21 -12.003 -14.137 -11.499 1.00 14.20 H new ATOM 0 HA LEU A 21 -11.415 -13.409 -14.143 1.00 60.14 H new ATOM 0 HB2 LEU A 21 -12.323 -16.122 -13.130 1.00 53.11 H new ATOM 0 HB3 LEU A 21 -11.329 -15.797 -14.537 1.00 53.11 H new ATOM 0 HG LEU A 21 -10.429 -15.115 -11.733 1.00 55.11 H new ATOM 0 HD11 LEU A 21 -9.159 -17.227 -11.760 1.00 34.42 H new ATOM 0 HD12 LEU A 21 -10.916 -17.511 -11.815 1.00 34.42 H new ATOM 0 HD13 LEU A 21 -9.941 -17.672 -13.295 1.00 34.42 H new ATOM 0 HD21 LEU A 21 -8.189 -15.194 -12.765 1.00 24.42 H new ATOM 0 HD22 LEU A 21 -8.933 -15.557 -14.340 1.00 24.42 H new ATOM 0 HD23 LEU A 21 -9.237 -13.990 -13.553 1.00 24.42 H new ATOM 314 N ARG A 22 -14.530 -14.203 -13.576 1.00 11.34 N ATOM 315 CA ARG A 22 -15.867 -14.225 -14.157 1.00 72.33 C ATOM 316 C ARG A 22 -16.863 -13.500 -13.258 1.00 62.01 C ATOM 317 O ARG A 22 -16.635 -13.313 -12.062 1.00 34.44 O ATOM 318 CB ARG A 22 -16.323 -15.667 -14.385 1.00 70.50 C ATOM 319 CG ARG A 22 -16.219 -16.118 -15.832 1.00 32.42 C ATOM 320 CD ARG A 22 -17.215 -17.224 -16.144 1.00 53.00 C ATOM 321 NE ARG A 22 -17.159 -17.631 -17.546 1.00 31.31 N ATOM 322 CZ ARG A 22 -17.648 -16.903 -18.543 1.00 32.31 C ATOM 323 NH1 ARG A 22 -18.227 -15.736 -18.294 1.00 10.33 N ATOM 324 NH2 ARG A 22 -17.560 -17.341 -19.792 1.00 75.43 N ATOM 0 H ARG A 22 -14.509 -14.314 -12.562 1.00 11.34 H new ATOM 0 HA ARG A 22 -15.828 -13.708 -15.116 1.00 72.33 H new ATOM 0 HB2 ARG A 22 -15.723 -16.331 -13.763 1.00 70.50 H new ATOM 0 HB3 ARG A 22 -17.357 -15.768 -14.055 1.00 70.50 H new ATOM 0 HG2 ARG A 22 -16.397 -15.269 -16.492 1.00 32.42 H new ATOM 0 HG3 ARG A 22 -15.207 -16.471 -16.032 1.00 32.42 H new ATOM 0 HD2 ARG A 22 -17.011 -18.085 -15.508 1.00 53.00 H new ATOM 0 HD3 ARG A 22 -18.222 -16.883 -15.905 1.00 53.00 H new ATOM 0 HE ARG A 22 -16.720 -18.524 -17.771 1.00 31.31 H new ATOM 0 HH11 ARG A 22 -18.297 -15.396 -17.335 1.00 10.33 H new ATOM 0 HH12 ARG A 22 -18.602 -15.179 -19.062 1.00 10.33 H new ATOM 0 HH21 ARG A 22 -17.116 -18.238 -19.988 1.00 75.43 H new ATOM 0 HH22 ARG A 22 -17.936 -16.781 -20.557 1.00 75.43 H new ATOM 338 N PRO A 23 -17.995 -13.081 -13.844 1.00 44.54 N ATOM 339 CA PRO A 23 -19.049 -12.371 -13.114 1.00 61.03 C ATOM 340 C PRO A 23 -19.779 -13.273 -12.125 1.00 51.02 C ATOM 341 O PRO A 23 -20.150 -12.843 -11.034 1.00 51.35 O ATOM 342 CB PRO A 23 -20.000 -11.912 -14.221 1.00 40.11 C ATOM 343 CG PRO A 23 -19.784 -12.880 -15.333 1.00 2.42 C ATOM 344 CD PRO A 23 -18.333 -13.271 -15.265 1.00 3.42 C ATOM 0 HA PRO A 23 -18.648 -11.556 -12.512 1.00 61.03 H new ATOM 0 HB2 PRO A 23 -21.036 -11.923 -13.882 1.00 40.11 H new ATOM 0 HB3 PRO A 23 -19.778 -10.892 -14.535 1.00 40.11 H new ATOM 0 HG2 PRO A 23 -20.429 -13.752 -15.222 1.00 2.42 H new ATOM 0 HG3 PRO A 23 -20.022 -12.428 -16.296 1.00 2.42 H new ATOM 0 HD2 PRO A 23 -18.180 -14.303 -15.580 1.00 3.42 H new ATOM 0 HD3 PRO A 23 -17.717 -12.646 -15.912 1.00 3.42 H new ATOM 352 N GLY A 24 -19.981 -14.528 -12.514 1.00 73.43 N ATOM 353 CA GLY A 24 -20.666 -15.472 -11.650 1.00 63.22 C ATOM 354 C GLY A 24 -19.751 -16.575 -11.155 1.00 13.03 C ATOM 355 O GLY A 24 -20.030 -17.757 -11.351 1.00 63.24 O ATOM 0 H GLY A 24 -19.682 -14.908 -13.412 1.00 73.43 H new ATOM 0 HA2 GLY A 24 -21.084 -14.940 -10.795 1.00 63.22 H new ATOM 0 HA3 GLY A 24 -21.503 -15.914 -12.191 1.00 63.22 H new ATOM 359 N GLY A 25 -18.653 -16.187 -10.513 1.00 60.32 N ATOM 360 CA GLY A 25 -17.710 -17.164 -10.000 1.00 25.44 C ATOM 361 C GLY A 25 -17.232 -16.828 -8.601 1.00 51.23 C ATOM 362 O GLY A 25 -17.730 -15.893 -7.973 1.00 72.35 O ATOM 0 H GLY A 25 -18.400 -15.214 -10.339 1.00 60.32 H new ATOM 0 HA2 GLY A 25 -18.178 -18.148 -9.994 1.00 25.44 H new ATOM 0 HA3 GLY A 25 -16.852 -17.223 -10.670 1.00 25.44 H new ATOM 366 N LYS A 26 -16.264 -17.594 -8.110 1.00 64.12 N ATOM 367 CA LYS A 26 -15.718 -17.375 -6.775 1.00 52.44 C ATOM 368 C LYS A 26 -14.196 -17.470 -6.788 1.00 54.23 C ATOM 369 O LYS A 26 -13.574 -17.790 -5.775 1.00 35.40 O ATOM 370 CB LYS A 26 -16.294 -18.396 -5.792 1.00 0.23 C ATOM 371 CG LYS A 26 -17.748 -18.142 -5.434 1.00 1.23 C ATOM 372 CD LYS A 26 -18.126 -18.812 -4.124 1.00 20.41 C ATOM 373 CE LYS A 26 -19.232 -18.053 -3.407 1.00 54.40 C ATOM 374 NZ LYS A 26 -18.751 -17.441 -2.137 1.00 73.32 N ATOM 0 H LYS A 26 -15.841 -18.372 -8.616 1.00 64.12 H new ATOM 0 HA LYS A 26 -16.000 -16.372 -6.455 1.00 52.44 H new ATOM 0 HB2 LYS A 26 -16.203 -19.393 -6.222 1.00 0.23 H new ATOM 0 HB3 LYS A 26 -15.697 -18.387 -4.880 1.00 0.23 H new ATOM 0 HG2 LYS A 26 -17.923 -17.069 -5.358 1.00 1.23 H new ATOM 0 HG3 LYS A 26 -18.390 -18.514 -6.232 1.00 1.23 H new ATOM 0 HD2 LYS A 26 -18.452 -19.834 -4.318 1.00 20.41 H new ATOM 0 HD3 LYS A 26 -17.249 -18.874 -3.480 1.00 20.41 H new ATOM 0 HE2 LYS A 26 -19.621 -17.273 -4.062 1.00 54.40 H new ATOM 0 HE3 LYS A 26 -20.058 -18.731 -3.193 1.00 54.40 H new ATOM 0 HZ1 LYS A 26 -19.534 -16.933 -1.678 1.00 73.32 H new ATOM 0 HZ2 LYS A 26 -18.403 -18.187 -1.502 1.00 73.32 H new ATOM 0 HZ3 LYS A 26 -17.979 -16.775 -2.343 1.00 73.32 H new ATOM 388 N LYS A 27 -13.600 -17.190 -7.943 1.00 15.44 N ATOM 389 CA LYS A 27 -12.150 -17.240 -8.088 1.00 11.32 C ATOM 390 C LYS A 27 -11.597 -15.883 -8.511 1.00 0.34 C ATOM 391 O LYS A 27 -11.555 -15.563 -9.698 1.00 22.45 O ATOM 392 CB LYS A 27 -11.756 -18.305 -9.115 1.00 0.35 C ATOM 393 CG LYS A 27 -10.398 -18.931 -8.851 1.00 32.01 C ATOM 394 CD LYS A 27 -9.750 -19.417 -10.137 1.00 12.42 C ATOM 395 CE LYS A 27 -9.257 -20.850 -10.007 1.00 4.03 C ATOM 396 NZ LYS A 27 -8.111 -21.128 -10.916 1.00 3.23 N ATOM 0 H LYS A 27 -14.100 -16.926 -8.792 1.00 15.44 H new ATOM 0 HA LYS A 27 -11.723 -17.501 -7.120 1.00 11.32 H new ATOM 0 HB2 LYS A 27 -12.513 -19.089 -9.122 1.00 0.35 H new ATOM 0 HB3 LYS A 27 -11.753 -17.856 -10.108 1.00 0.35 H new ATOM 0 HG2 LYS A 27 -9.748 -18.202 -8.368 1.00 32.01 H new ATOM 0 HG3 LYS A 27 -10.509 -19.767 -8.160 1.00 32.01 H new ATOM 0 HD2 LYS A 27 -10.468 -19.351 -10.955 1.00 12.42 H new ATOM 0 HD3 LYS A 27 -8.914 -18.766 -10.393 1.00 12.42 H new ATOM 0 HE2 LYS A 27 -8.957 -21.038 -8.976 1.00 4.03 H new ATOM 0 HE3 LYS A 27 -10.073 -21.536 -10.232 1.00 4.03 H new ATOM 0 HZ1 LYS A 27 -7.805 -22.115 -10.797 1.00 3.23 H new ATOM 0 HZ2 LYS A 27 -8.404 -20.973 -11.902 1.00 3.23 H new ATOM 0 HZ3 LYS A 27 -7.322 -20.491 -10.685 1.00 3.23 H new ATOM 410 N GLN A 28 -11.173 -15.091 -7.531 1.00 30.35 N ATOM 411 CA GLN A 28 -10.623 -13.768 -7.803 1.00 71.11 C ATOM 412 C GLN A 28 -9.352 -13.869 -8.641 1.00 32.32 C ATOM 413 O GLN A 28 -8.840 -14.963 -8.882 1.00 23.31 O ATOM 414 CB GLN A 28 -10.327 -13.036 -6.493 1.00 52.40 C ATOM 415 CG GLN A 28 -11.455 -13.124 -5.479 1.00 20.24 C ATOM 416 CD GLN A 28 -11.290 -12.140 -4.336 1.00 62.53 C ATOM 417 OE1 GLN A 28 -11.208 -10.931 -4.550 1.00 14.10 O ATOM 418 NE2 GLN A 28 -11.243 -12.656 -3.114 1.00 65.43 N ATOM 0 H GLN A 28 -11.200 -15.342 -6.543 1.00 30.35 H new ATOM 0 HA GLN A 28 -11.365 -13.203 -8.367 1.00 71.11 H new ATOM 0 HB2 GLN A 28 -9.420 -13.450 -6.052 1.00 52.40 H new ATOM 0 HB3 GLN A 28 -10.126 -11.987 -6.710 1.00 52.40 H new ATOM 0 HG2 GLN A 28 -12.405 -12.937 -5.980 1.00 20.24 H new ATOM 0 HG3 GLN A 28 -11.500 -14.137 -5.078 1.00 20.24 H new ATOM 0 HE21 GLN A 28 -11.315 -13.665 -2.983 1.00 65.43 H new ATOM 0 HE22 GLN A 28 -11.135 -12.043 -2.306 1.00 65.43 H new ATOM 427 N TYR A 29 -8.850 -12.722 -9.084 1.00 13.43 N ATOM 428 CA TYR A 29 -7.640 -12.681 -9.898 1.00 63.13 C ATOM 429 C TYR A 29 -6.392 -12.750 -9.024 1.00 65.34 C ATOM 430 O TYR A 29 -6.391 -12.285 -7.885 1.00 4.44 O ATOM 431 CB TYR A 29 -7.613 -11.408 -10.745 1.00 74.10 C ATOM 432 CG TYR A 29 -8.037 -11.627 -12.180 1.00 15.11 C ATOM 433 CD1 TYR A 29 -7.166 -12.194 -13.104 1.00 22.33 C ATOM 434 CD2 TYR A 29 -9.306 -11.266 -12.613 1.00 74.24 C ATOM 435 CE1 TYR A 29 -7.547 -12.395 -14.416 1.00 65.44 C ATOM 436 CE2 TYR A 29 -9.697 -11.465 -13.924 1.00 20.51 C ATOM 437 CZ TYR A 29 -8.815 -12.030 -14.820 1.00 34.22 C ATOM 438 OH TYR A 29 -9.200 -12.228 -16.128 1.00 4.44 O ATOM 0 H TYR A 29 -9.262 -11.808 -8.894 1.00 13.43 H new ATOM 0 HA TYR A 29 -7.647 -13.549 -10.558 1.00 63.13 H new ATOM 0 HB2 TYR A 29 -8.269 -10.665 -10.290 1.00 74.10 H new ATOM 0 HB3 TYR A 29 -6.605 -10.994 -10.732 1.00 74.10 H new ATOM 0 HD1 TYR A 29 -6.174 -12.482 -12.790 1.00 22.33 H new ATOM 0 HD2 TYR A 29 -9.999 -10.822 -11.914 1.00 74.24 H new ATOM 0 HE1 TYR A 29 -6.857 -12.835 -15.121 1.00 65.44 H new ATOM 0 HE2 TYR A 29 -10.688 -11.179 -14.244 1.00 20.51 H new ATOM 0 HH TYR A 29 -10.169 -12.105 -16.206 1.00 4.44 H new ATOM 448 N LYS A 30 -5.329 -13.335 -9.566 1.00 23.32 N ATOM 449 CA LYS A 30 -4.073 -13.464 -8.839 1.00 53.40 C ATOM 450 C LYS A 30 -2.883 -13.386 -9.790 1.00 75.22 C ATOM 451 O LYS A 30 -3.040 -13.490 -11.007 1.00 74.21 O ATOM 452 CB LYS A 30 -4.038 -14.788 -8.070 1.00 11.02 C ATOM 453 CG LYS A 30 -4.692 -14.712 -6.702 1.00 44.22 C ATOM 454 CD LYS A 30 -3.746 -15.173 -5.605 1.00 62.21 C ATOM 455 CE LYS A 30 -3.968 -14.397 -4.316 1.00 1.20 C ATOM 456 NZ LYS A 30 -4.557 -15.252 -3.249 1.00 24.54 N ATOM 0 H LYS A 30 -5.313 -13.727 -10.507 1.00 23.32 H new ATOM 0 HA LYS A 30 -4.006 -12.637 -8.132 1.00 53.40 H new ATOM 0 HB2 LYS A 30 -4.538 -15.555 -8.661 1.00 11.02 H new ATOM 0 HB3 LYS A 30 -3.001 -15.103 -7.951 1.00 11.02 H new ATOM 0 HG2 LYS A 30 -5.007 -13.687 -6.505 1.00 44.22 H new ATOM 0 HG3 LYS A 30 -5.590 -15.329 -6.692 1.00 44.22 H new ATOM 0 HD2 LYS A 30 -3.892 -16.237 -5.420 1.00 62.21 H new ATOM 0 HD3 LYS A 30 -2.715 -15.046 -5.935 1.00 62.21 H new ATOM 0 HE2 LYS A 30 -3.019 -13.987 -3.971 1.00 1.20 H new ATOM 0 HE3 LYS A 30 -4.628 -13.552 -4.510 1.00 1.20 H new ATOM 0 HZ1 LYS A 30 -4.693 -14.687 -2.387 1.00 24.54 H new ATOM 0 HZ2 LYS A 30 -5.475 -15.623 -3.568 1.00 24.54 H new ATOM 0 HZ3 LYS A 30 -3.915 -16.045 -3.046 1.00 24.54 H new ATOM 470 N LEU A 31 -1.693 -13.204 -9.228 1.00 41.20 N ATOM 471 CA LEU A 31 -0.476 -13.114 -10.027 1.00 53.34 C ATOM 472 C LEU A 31 -0.355 -14.304 -10.973 1.00 33.53 C ATOM 473 O LEU A 31 0.221 -14.195 -12.056 1.00 43.41 O ATOM 474 CB LEU A 31 0.752 -13.047 -9.117 1.00 3.31 C ATOM 475 CG LEU A 31 1.365 -11.660 -8.917 1.00 40.21 C ATOM 476 CD1 LEU A 31 0.488 -10.815 -8.007 1.00 44.30 C ATOM 477 CD2 LEU A 31 2.772 -11.777 -8.348 1.00 31.25 C ATOM 0 H LEU A 31 -1.545 -13.116 -8.223 1.00 41.20 H new ATOM 0 HA LEU A 31 -0.530 -12.203 -10.623 1.00 53.34 H new ATOM 0 HB2 LEU A 31 0.478 -13.445 -8.140 1.00 3.31 H new ATOM 0 HB3 LEU A 31 1.519 -13.705 -9.526 1.00 3.31 H new ATOM 0 HG LEU A 31 1.426 -11.167 -9.887 1.00 40.21 H new ATOM 0 HD11 LEU A 31 0.940 -9.832 -7.876 1.00 44.30 H new ATOM 0 HD12 LEU A 31 -0.500 -10.704 -8.454 1.00 44.30 H new ATOM 0 HD13 LEU A 31 0.394 -11.303 -7.037 1.00 44.30 H new ATOM 0 HD21 LEU A 31 3.193 -10.781 -8.212 1.00 31.25 H new ATOM 0 HD22 LEU A 31 2.734 -12.289 -7.387 1.00 31.25 H new ATOM 0 HD23 LEU A 31 3.397 -12.344 -9.037 1.00 31.25 H new ATOM 489 N LYS A 32 -0.906 -15.441 -10.560 1.00 4.55 N ATOM 490 CA LYS A 32 -0.864 -16.651 -11.371 1.00 21.53 C ATOM 491 C LYS A 32 -1.374 -16.378 -12.783 1.00 10.24 C ATOM 492 O LYS A 32 -0.858 -16.926 -13.757 1.00 2.21 O ATOM 493 CB LYS A 32 -1.703 -17.754 -10.721 1.00 42.30 C ATOM 494 CG LYS A 32 -1.131 -18.257 -9.407 1.00 73.13 C ATOM 495 CD LYS A 32 -0.379 -19.565 -9.591 1.00 15.40 C ATOM 496 CE LYS A 32 -1.333 -20.736 -9.774 1.00 54.52 C ATOM 497 NZ LYS A 32 -2.052 -21.068 -8.514 1.00 32.45 N ATOM 0 H LYS A 32 -1.387 -15.549 -9.667 1.00 4.55 H new ATOM 0 HA LYS A 32 0.173 -16.980 -11.435 1.00 21.53 H new ATOM 0 HB2 LYS A 32 -2.712 -17.378 -10.549 1.00 42.30 H new ATOM 0 HB3 LYS A 32 -1.789 -18.591 -11.415 1.00 42.30 H new ATOM 0 HG2 LYS A 32 -0.460 -17.506 -8.990 1.00 73.13 H new ATOM 0 HG3 LYS A 32 -1.938 -18.398 -8.688 1.00 73.13 H new ATOM 0 HD2 LYS A 32 0.277 -19.490 -10.458 1.00 15.40 H new ATOM 0 HD3 LYS A 32 0.257 -19.745 -8.725 1.00 15.40 H new ATOM 0 HE2 LYS A 32 -2.057 -20.496 -10.553 1.00 54.52 H new ATOM 0 HE3 LYS A 32 -0.776 -21.609 -10.115 1.00 54.52 H new ATOM 0 HZ1 LYS A 32 -2.490 -22.007 -8.601 1.00 32.45 H new ATOM 0 HZ2 LYS A 32 -1.379 -21.072 -7.721 1.00 32.45 H new ATOM 0 HZ3 LYS A 32 -2.790 -20.357 -8.338 1.00 32.45 H new ATOM 511 N HIS A 33 -2.388 -15.524 -12.887 1.00 2.23 N ATOM 512 CA HIS A 33 -2.966 -15.175 -14.180 1.00 72.11 C ATOM 513 C HIS A 33 -2.080 -14.175 -14.917 1.00 33.53 C ATOM 514 O HIS A 33 -2.022 -14.267 -16.144 1.00 23.51 O ATOM 515 CB HIS A 33 -4.368 -14.595 -13.997 1.00 3.14 C ATOM 516 CG HIS A 33 -5.234 -15.400 -13.078 1.00 70.32 C ATOM 517 ND1 HIS A 33 -5.930 -14.848 -12.023 1.00 51.42 N ATOM 518 CD2 HIS A 33 -5.516 -16.724 -13.061 1.00 33.32 C ATOM 519 CE1 HIS A 33 -6.601 -15.797 -11.396 1.00 72.53 C ATOM 520 NE2 HIS A 33 -6.368 -16.945 -12.008 1.00 42.45 N ATOM 0 H HIS A 33 -2.826 -15.061 -12.091 1.00 2.23 H new ATOM 0 HA HIS A 33 -3.034 -16.084 -14.778 1.00 72.11 H new ATOM 0 HB2 HIS A 33 -4.284 -13.580 -13.608 1.00 3.14 H new ATOM 0 HB3 HIS A 33 -4.853 -14.524 -14.971 1.00 3.14 H new ATOM 0 HD2 HIS A 33 -5.140 -17.468 -13.748 1.00 33.32 H new ATOM 0 HE1 HIS A 33 -7.232 -15.659 -10.531 1.00 72.53 H new ATOM 0 HE2 HIS A 33 -6.758 -17.849 -11.741 1.00 42.45 H new ATOM 528 N ILE A 34 -1.414 -13.254 -14.229 1.00 45.23 N ATOM 529 CA ILE A 34 -0.555 -12.279 -14.889 1.00 22.23 C ATOM 530 C ILE A 34 0.668 -12.950 -15.502 1.00 53.52 C ATOM 531 O ILE A 34 1.126 -12.567 -16.579 1.00 13.40 O ATOM 532 CB ILE A 34 -0.091 -11.183 -13.911 1.00 65.32 C ATOM 533 CG1 ILE A 34 -1.292 -10.585 -13.174 1.00 43.45 C ATOM 534 CG2 ILE A 34 0.675 -10.100 -14.655 1.00 4.23 C ATOM 535 CD1 ILE A 34 -0.908 -9.578 -12.113 1.00 22.01 C ATOM 0 H ILE A 34 -1.453 -13.163 -13.214 1.00 45.23 H new ATOM 0 HA ILE A 34 -1.148 -11.820 -15.680 1.00 22.23 H new ATOM 0 HB ILE A 34 0.576 -11.631 -13.175 1.00 65.32 H new ATOM 0 HG12 ILE A 34 -1.950 -10.105 -13.898 1.00 43.45 H new ATOM 0 HG13 ILE A 34 -1.862 -11.390 -12.710 1.00 43.45 H new ATOM 0 HG21 ILE A 34 0.996 -9.333 -13.951 1.00 4.23 H new ATOM 0 HG22 ILE A 34 1.549 -10.538 -15.138 1.00 4.23 H new ATOM 0 HG23 ILE A 34 0.030 -9.652 -15.411 1.00 4.23 H new ATOM 0 HD11 ILE A 34 -1.808 -9.195 -11.632 1.00 22.01 H new ATOM 0 HD12 ILE A 34 -0.274 -10.059 -11.368 1.00 22.01 H new ATOM 0 HD13 ILE A 34 -0.365 -8.753 -12.574 1.00 22.01 H new ATOM 547 N VAL A 35 1.195 -13.955 -14.810 1.00 0.24 N ATOM 548 CA VAL A 35 2.365 -14.683 -15.287 1.00 32.04 C ATOM 549 C VAL A 35 1.978 -15.718 -16.337 1.00 53.50 C ATOM 550 O VAL A 35 2.705 -15.934 -17.306 1.00 71.34 O ATOM 551 CB VAL A 35 3.098 -15.388 -14.130 1.00 61.41 C ATOM 552 CG1 VAL A 35 4.296 -16.166 -14.652 1.00 73.25 C ATOM 553 CG2 VAL A 35 3.525 -14.379 -13.076 1.00 33.22 C ATOM 0 H VAL A 35 0.830 -14.284 -13.916 1.00 0.24 H new ATOM 0 HA VAL A 35 3.034 -13.948 -15.736 1.00 32.04 H new ATOM 0 HB VAL A 35 2.411 -16.095 -13.665 1.00 61.41 H new ATOM 0 HG11 VAL A 35 4.801 -16.657 -13.820 1.00 73.25 H new ATOM 0 HG12 VAL A 35 3.959 -16.917 -15.366 1.00 73.25 H new ATOM 0 HG13 VAL A 35 4.988 -15.482 -15.144 1.00 73.25 H new ATOM 0 HG21 VAL A 35 4.041 -14.895 -12.266 1.00 33.22 H new ATOM 0 HG22 VAL A 35 4.195 -13.646 -13.525 1.00 33.22 H new ATOM 0 HG23 VAL A 35 2.645 -13.872 -12.680 1.00 33.22 H new ATOM 563 N TRP A 36 0.830 -16.354 -16.137 1.00 34.12 N ATOM 564 CA TRP A 36 0.345 -17.367 -17.067 1.00 32.12 C ATOM 565 C TRP A 36 0.246 -16.804 -18.481 1.00 41.14 C ATOM 566 O TRP A 36 0.502 -17.509 -19.458 1.00 33.24 O ATOM 567 CB TRP A 36 -1.019 -17.892 -16.617 1.00 12.23 C ATOM 568 CG TRP A 36 -1.644 -18.839 -17.597 1.00 4.04 C ATOM 569 CD1 TRP A 36 -1.642 -20.203 -17.535 1.00 4.41 C ATOM 570 CD2 TRP A 36 -2.362 -18.491 -18.786 1.00 52.50 C ATOM 571 NE1 TRP A 36 -2.314 -20.724 -18.613 1.00 2.11 N ATOM 572 CE2 TRP A 36 -2.766 -19.694 -19.395 1.00 52.10 C ATOM 573 CE3 TRP A 36 -2.704 -17.279 -19.394 1.00 51.44 C ATOM 574 CZ2 TRP A 36 -3.493 -19.719 -20.582 1.00 71.43 C ATOM 575 CZ3 TRP A 36 -3.424 -17.307 -20.573 1.00 11.03 C ATOM 576 CH2 TRP A 36 -3.813 -18.520 -21.156 1.00 20.54 C ATOM 0 H TRP A 36 0.217 -16.186 -15.339 1.00 34.12 H new ATOM 0 HA TRP A 36 1.059 -18.191 -17.073 1.00 32.12 H new ATOM 0 HB2 TRP A 36 -0.908 -18.395 -15.657 1.00 12.23 H new ATOM 0 HB3 TRP A 36 -1.691 -17.048 -16.459 1.00 12.23 H new ATOM 0 HD1 TRP A 36 -1.180 -20.787 -16.753 1.00 4.41 H new ATOM 0 HE1 TRP A 36 -2.454 -21.717 -18.801 1.00 2.11 H new ATOM 0 HE3 TRP A 36 -2.411 -16.339 -18.950 1.00 51.44 H new ATOM 0 HZ2 TRP A 36 -3.794 -20.653 -21.034 1.00 71.43 H new ATOM 0 HZ3 TRP A 36 -3.692 -16.378 -21.053 1.00 11.03 H new ATOM 0 HH2 TRP A 36 -4.377 -18.508 -22.077 1.00 20.54 H new ATOM 587 N ALA A 37 -0.127 -15.533 -18.584 1.00 3.42 N ATOM 588 CA ALA A 37 -0.257 -14.877 -19.878 1.00 74.43 C ATOM 589 C ALA A 37 1.106 -14.472 -20.428 1.00 53.14 C ATOM 590 O ALA A 37 1.398 -14.680 -21.606 1.00 22.41 O ATOM 591 CB ALA A 37 -1.164 -13.661 -19.764 1.00 71.50 C ATOM 0 H ALA A 37 -0.345 -14.937 -17.785 1.00 3.42 H new ATOM 0 HA ALA A 37 -0.704 -15.587 -20.574 1.00 74.43 H new ATOM 0 HB1 ALA A 37 -1.252 -13.180 -20.738 1.00 71.50 H new ATOM 0 HB2 ALA A 37 -2.151 -13.974 -19.423 1.00 71.50 H new ATOM 0 HB3 ALA A 37 -0.740 -12.956 -19.049 1.00 71.50 H new ATOM 597 N SER A 38 1.939 -13.893 -19.569 1.00 60.24 N ATOM 598 CA SER A 38 3.270 -13.456 -19.970 1.00 32.13 C ATOM 599 C SER A 38 4.034 -14.591 -20.645 1.00 53.11 C ATOM 600 O SER A 38 4.698 -14.388 -21.663 1.00 0.50 O ATOM 601 CB SER A 38 4.052 -12.951 -18.756 1.00 33.32 C ATOM 602 OG SER A 38 5.016 -13.901 -18.339 1.00 51.24 O ATOM 0 H SER A 38 1.715 -13.716 -18.590 1.00 60.24 H new ATOM 0 HA SER A 38 3.158 -12.641 -20.685 1.00 32.13 H new ATOM 0 HB2 SER A 38 4.546 -12.011 -19.003 1.00 33.32 H new ATOM 0 HB3 SER A 38 3.364 -12.743 -17.937 1.00 33.32 H new ATOM 0 HG SER A 38 5.503 -13.554 -17.563 1.00 51.24 H new ATOM 608 N ARG A 39 3.936 -15.785 -20.073 1.00 44.41 N ATOM 609 CA ARG A 39 4.618 -16.953 -20.616 1.00 74.12 C ATOM 610 C ARG A 39 4.029 -17.346 -21.968 1.00 41.11 C ATOM 611 O ARG A 39 4.706 -17.950 -22.799 1.00 51.11 O ATOM 612 CB ARG A 39 4.518 -18.129 -19.643 1.00 3.12 C ATOM 613 CG ARG A 39 5.838 -18.483 -18.977 1.00 34.22 C ATOM 614 CD ARG A 39 6.509 -19.662 -19.663 1.00 33.12 C ATOM 615 NE ARG A 39 7.385 -20.397 -18.755 1.00 63.01 N ATOM 616 CZ ARG A 39 8.612 -20.002 -18.435 1.00 4.35 C ATOM 617 NH1 ARG A 39 9.105 -18.883 -18.946 1.00 32.31 N ATOM 618 NH2 ARG A 39 9.347 -20.726 -17.600 1.00 10.35 N ATOM 0 H ARG A 39 3.390 -15.970 -19.232 1.00 44.41 H new ATOM 0 HA ARG A 39 5.668 -16.696 -20.756 1.00 74.12 H new ATOM 0 HB2 ARG A 39 3.785 -17.891 -18.873 1.00 3.12 H new ATOM 0 HB3 ARG A 39 4.145 -19.002 -20.179 1.00 3.12 H new ATOM 0 HG2 ARG A 39 6.503 -17.619 -19.002 1.00 34.22 H new ATOM 0 HG3 ARG A 39 5.665 -18.721 -17.928 1.00 34.22 H new ATOM 0 HD2 ARG A 39 5.747 -20.335 -20.055 1.00 33.12 H new ATOM 0 HD3 ARG A 39 7.088 -19.305 -20.515 1.00 33.12 H new ATOM 0 HE ARG A 39 7.035 -21.262 -18.343 1.00 63.01 H new ATOM 0 HH11 ARG A 39 8.542 -18.323 -19.586 1.00 32.31 H new ATOM 0 HH12 ARG A 39 10.048 -18.581 -18.699 1.00 32.31 H new ATOM 0 HH21 ARG A 39 8.970 -21.587 -17.203 1.00 10.35 H new ATOM 0 HH22 ARG A 39 10.289 -20.422 -17.355 1.00 10.35 H new ATOM 632 N GLU A 40 2.763 -16.999 -22.179 1.00 71.03 N ATOM 633 CA GLU A 40 2.083 -17.317 -23.429 1.00 15.22 C ATOM 634 C GLU A 40 2.395 -16.275 -24.500 1.00 43.43 C ATOM 635 O GLU A 40 2.480 -16.593 -25.687 1.00 24.33 O ATOM 636 CB GLU A 40 0.571 -17.398 -23.207 1.00 54.41 C ATOM 637 CG GLU A 40 -0.116 -18.440 -24.074 1.00 72.22 C ATOM 638 CD GLU A 40 -0.470 -19.698 -23.305 1.00 43.13 C ATOM 639 OE1 GLU A 40 -1.026 -19.576 -22.193 1.00 73.52 O ATOM 640 OE2 GLU A 40 -0.189 -20.804 -23.814 1.00 32.24 O ATOM 0 H GLU A 40 2.188 -16.498 -21.501 1.00 71.03 H new ATOM 0 HA GLU A 40 2.446 -18.286 -23.773 1.00 15.22 H new ATOM 0 HB2 GLU A 40 0.378 -17.625 -22.159 1.00 54.41 H new ATOM 0 HB3 GLU A 40 0.130 -16.422 -23.408 1.00 54.41 H new ATOM 0 HG2 GLU A 40 -1.023 -18.012 -24.500 1.00 72.22 H new ATOM 0 HG3 GLU A 40 0.536 -18.700 -24.908 1.00 72.22 H new ATOM 647 N LEU A 41 2.566 -15.029 -24.071 1.00 70.40 N ATOM 648 CA LEU A 41 2.869 -13.938 -24.991 1.00 62.21 C ATOM 649 C LEU A 41 4.162 -14.211 -25.752 1.00 10.55 C ATOM 650 O LEU A 41 4.215 -14.075 -26.974 1.00 62.53 O ATOM 651 CB LEU A 41 2.981 -12.617 -24.229 1.00 44.34 C ATOM 652 CG LEU A 41 1.695 -11.800 -24.109 1.00 22.24 C ATOM 653 CD1 LEU A 41 1.933 -10.548 -23.280 1.00 10.43 C ATOM 654 CD2 LEU A 41 1.164 -11.435 -25.488 1.00 71.44 C ATOM 0 H LEU A 41 2.500 -14.749 -23.092 1.00 70.40 H new ATOM 0 HA LEU A 41 2.054 -13.866 -25.711 1.00 62.21 H new ATOM 0 HB2 LEU A 41 3.347 -12.830 -23.225 1.00 44.34 H new ATOM 0 HB3 LEU A 41 3.735 -12.001 -24.719 1.00 44.34 H new ATOM 0 HG LEU A 41 0.947 -12.410 -23.603 1.00 22.24 H new ATOM 0 HD11 LEU A 41 1.006 -9.979 -23.206 1.00 10.43 H new ATOM 0 HD12 LEU A 41 2.266 -10.831 -22.281 1.00 10.43 H new ATOM 0 HD13 LEU A 41 2.697 -9.935 -23.758 1.00 10.43 H new ATOM 0 HD21 LEU A 41 0.248 -10.854 -25.383 1.00 71.44 H new ATOM 0 HD22 LEU A 41 1.910 -10.845 -26.020 1.00 71.44 H new ATOM 0 HD23 LEU A 41 0.953 -12.345 -26.049 1.00 71.44 H new ATOM 666 N GLU A 42 5.202 -14.598 -25.021 1.00 52.03 N ATOM 667 CA GLU A 42 6.495 -14.891 -25.628 1.00 41.42 C ATOM 668 C GLU A 42 6.357 -15.948 -26.720 1.00 4.14 C ATOM 669 O GLU A 42 7.163 -16.005 -27.649 1.00 20.12 O ATOM 670 CB GLU A 42 7.487 -15.368 -24.565 1.00 25.42 C ATOM 671 CG GLU A 42 8.531 -14.328 -24.195 1.00 33.51 C ATOM 672 CD GLU A 42 9.948 -14.815 -24.428 1.00 75.32 C ATOM 673 OE1 GLU A 42 10.268 -15.941 -23.992 1.00 0.10 O ATOM 674 OE2 GLU A 42 10.736 -14.071 -25.047 1.00 2.44 O ATOM 0 H GLU A 42 5.175 -14.716 -24.008 1.00 52.03 H new ATOM 0 HA GLU A 42 6.871 -13.973 -26.080 1.00 41.42 H new ATOM 0 HB2 GLU A 42 6.936 -15.653 -23.668 1.00 25.42 H new ATOM 0 HB3 GLU A 42 7.991 -16.264 -24.927 1.00 25.42 H new ATOM 0 HG2 GLU A 42 8.361 -13.424 -24.780 1.00 33.51 H new ATOM 0 HG3 GLU A 42 8.412 -14.056 -23.146 1.00 33.51 H new ATOM 681 N ARG A 43 5.330 -16.783 -26.600 1.00 34.41 N ATOM 682 CA ARG A 43 5.086 -17.839 -27.576 1.00 4.15 C ATOM 683 C ARG A 43 4.525 -17.263 -28.873 1.00 4.34 C ATOM 684 O ARG A 43 4.709 -17.832 -29.948 1.00 42.14 O ATOM 685 CB ARG A 43 4.116 -18.876 -27.004 1.00 55.10 C ATOM 686 CG ARG A 43 4.649 -20.299 -27.053 1.00 4.32 C ATOM 687 CD ARG A 43 3.523 -21.317 -26.980 1.00 43.33 C ATOM 688 NE ARG A 43 3.607 -22.142 -25.777 1.00 53.35 N ATOM 689 CZ ARG A 43 4.561 -23.045 -25.570 1.00 15.15 C ATOM 690 NH1 ARG A 43 5.506 -23.236 -26.481 1.00 43.01 N ATOM 691 NH2 ARG A 43 4.571 -23.756 -24.451 1.00 3.11 N ATOM 0 H ARG A 43 4.654 -16.749 -25.837 1.00 34.41 H new ATOM 0 HA ARG A 43 6.038 -18.323 -27.796 1.00 4.15 H new ATOM 0 HB2 ARG A 43 3.889 -18.617 -25.970 1.00 55.10 H new ATOM 0 HB3 ARG A 43 3.178 -18.829 -27.558 1.00 55.10 H new ATOM 0 HG2 ARG A 43 5.215 -20.446 -27.973 1.00 4.32 H new ATOM 0 HG3 ARG A 43 5.340 -20.459 -26.225 1.00 4.32 H new ATOM 0 HD2 ARG A 43 2.564 -20.799 -26.998 1.00 43.33 H new ATOM 0 HD3 ARG A 43 3.556 -21.957 -27.862 1.00 43.33 H new ATOM 0 HE ARG A 43 2.895 -22.019 -25.057 1.00 53.35 H new ATOM 0 HH11 ARG A 43 5.502 -22.690 -27.342 1.00 43.01 H new ATOM 0 HH12 ARG A 43 6.237 -23.929 -26.320 1.00 43.01 H new ATOM 0 HH21 ARG A 43 3.846 -23.611 -23.748 1.00 3.11 H new ATOM 0 HH22 ARG A 43 5.303 -24.448 -24.293 1.00 3.11 H new ATOM 705 N PHE A 44 3.839 -16.129 -28.762 1.00 1.41 N ATOM 706 CA PHE A 44 3.250 -15.476 -29.926 1.00 3.23 C ATOM 707 C PHE A 44 4.173 -14.385 -30.462 1.00 65.40 C ATOM 708 O PHE A 44 3.721 -13.430 -31.091 1.00 34.45 O ATOM 709 CB PHE A 44 1.890 -14.876 -29.565 1.00 65.34 C ATOM 710 CG PHE A 44 0.890 -15.896 -29.099 1.00 65.10 C ATOM 711 CD1 PHE A 44 0.410 -16.864 -29.968 1.00 14.31 C ATOM 712 CD2 PHE A 44 0.430 -15.888 -27.792 1.00 41.11 C ATOM 713 CE1 PHE A 44 -0.511 -17.803 -29.542 1.00 12.42 C ATOM 714 CE2 PHE A 44 -0.490 -16.826 -27.360 1.00 32.45 C ATOM 715 CZ PHE A 44 -0.960 -17.784 -28.236 1.00 30.31 C ATOM 0 H PHE A 44 3.678 -15.644 -27.879 1.00 1.41 H new ATOM 0 HA PHE A 44 3.114 -16.227 -30.704 1.00 3.23 H new ATOM 0 HB2 PHE A 44 2.027 -14.129 -28.783 1.00 65.34 H new ATOM 0 HB3 PHE A 44 1.489 -14.356 -30.435 1.00 65.34 H new ATOM 0 HD1 PHE A 44 0.760 -16.885 -30.990 1.00 14.31 H new ATOM 0 HD2 PHE A 44 0.794 -15.141 -27.103 1.00 41.11 H new ATOM 0 HE1 PHE A 44 -0.879 -18.550 -30.229 1.00 12.42 H new ATOM 0 HE2 PHE A 44 -0.840 -16.809 -26.339 1.00 32.45 H new ATOM 0 HZ PHE A 44 -1.678 -18.518 -27.900 1.00 30.31 H new ATOM 725 N ALA A 45 5.468 -14.537 -30.208 1.00 40.41 N ATOM 726 CA ALA A 45 6.455 -13.567 -30.666 1.00 31.40 C ATOM 727 C ALA A 45 6.233 -12.208 -30.012 1.00 13.24 C ATOM 728 O ALA A 45 6.664 -11.179 -30.534 1.00 22.45 O ATOM 729 CB ALA A 45 6.406 -13.441 -32.182 1.00 12.24 C ATOM 0 H ALA A 45 5.858 -15.323 -29.688 1.00 40.41 H new ATOM 0 HA ALA A 45 7.443 -13.924 -30.374 1.00 31.40 H new ATOM 0 HB1 ALA A 45 7.148 -12.713 -32.511 1.00 12.24 H new ATOM 0 HB2 ALA A 45 6.621 -14.409 -32.635 1.00 12.24 H new ATOM 0 HB3 ALA A 45 5.413 -13.110 -32.488 1.00 12.24 H new ATOM 735 N VAL A 46 5.559 -12.210 -28.867 1.00 73.20 N ATOM 736 CA VAL A 46 5.280 -10.977 -28.141 1.00 20.24 C ATOM 737 C VAL A 46 5.933 -10.990 -26.763 1.00 30.54 C ATOM 738 O VAL A 46 5.790 -11.950 -26.008 1.00 42.13 O ATOM 739 CB VAL A 46 3.765 -10.751 -27.977 1.00 60.32 C ATOM 740 CG1 VAL A 46 3.496 -9.484 -27.181 1.00 15.21 C ATOM 741 CG2 VAL A 46 3.085 -10.691 -29.337 1.00 11.31 C ATOM 0 H VAL A 46 5.196 -13.053 -28.422 1.00 73.20 H new ATOM 0 HA VAL A 46 5.699 -10.162 -28.731 1.00 20.24 H new ATOM 0 HB VAL A 46 3.348 -11.593 -27.424 1.00 60.32 H new ATOM 0 HG11 VAL A 46 2.420 -9.342 -27.076 1.00 15.21 H new ATOM 0 HG12 VAL A 46 3.949 -9.572 -26.193 1.00 15.21 H new ATOM 0 HG13 VAL A 46 3.926 -8.629 -27.702 1.00 15.21 H new ATOM 0 HG21 VAL A 46 2.015 -10.531 -29.202 1.00 11.31 H new ATOM 0 HG22 VAL A 46 3.505 -9.869 -29.918 1.00 11.31 H new ATOM 0 HG23 VAL A 46 3.247 -11.630 -29.867 1.00 11.31 H new ATOM 751 N ASN A 47 6.648 -9.916 -26.444 1.00 44.24 N ATOM 752 CA ASN A 47 7.324 -9.805 -25.156 1.00 12.12 C ATOM 753 C ASN A 47 6.319 -9.562 -24.033 1.00 72.43 C ATOM 754 O ASN A 47 5.331 -8.846 -24.196 1.00 65.21 O ATOM 755 CB ASN A 47 8.349 -8.670 -25.192 1.00 4.44 C ATOM 756 CG ASN A 47 9.267 -8.756 -26.396 1.00 60.30 C ATOM 757 OD1 ASN A 47 10.000 -9.731 -26.562 1.00 52.10 O ATOM 758 ND2 ASN A 47 9.229 -7.735 -27.243 1.00 32.32 N ATOM 0 H ASN A 47 6.774 -9.112 -27.058 1.00 44.24 H new ATOM 0 HA ASN A 47 7.839 -10.746 -24.961 1.00 12.12 H new ATOM 0 HB2 ASN A 47 7.827 -7.713 -25.205 1.00 4.44 H new ATOM 0 HB3 ASN A 47 8.947 -8.695 -24.281 1.00 4.44 H new ATOM 0 HD21 ASN A 47 9.823 -7.738 -28.072 1.00 32.32 H new ATOM 0 HD22 ASN A 47 8.606 -6.948 -27.065 1.00 32.32 H new ATOM 765 N PRO A 48 6.576 -10.171 -22.867 1.00 61.42 N ATOM 766 CA PRO A 48 5.707 -10.036 -21.694 1.00 51.11 C ATOM 767 C PRO A 48 5.764 -8.638 -21.089 1.00 24.24 C ATOM 768 O PRO A 48 4.983 -8.305 -20.198 1.00 35.44 O ATOM 769 CB PRO A 48 6.271 -11.068 -20.714 1.00 4.04 C ATOM 770 CG PRO A 48 7.698 -11.226 -21.111 1.00 63.51 C ATOM 771 CD PRO A 48 7.736 -11.040 -22.602 1.00 14.42 C ATOM 0 HA PRO A 48 4.658 -10.195 -21.943 1.00 51.11 H new ATOM 0 HB2 PRO A 48 6.182 -10.725 -19.683 1.00 4.04 H new ATOM 0 HB3 PRO A 48 5.734 -12.014 -20.782 1.00 4.04 H new ATOM 0 HG2 PRO A 48 8.326 -10.490 -20.610 1.00 63.51 H new ATOM 0 HG3 PRO A 48 8.074 -12.210 -20.831 1.00 63.51 H new ATOM 0 HD2 PRO A 48 8.668 -10.576 -22.926 1.00 14.42 H new ATOM 0 HD3 PRO A 48 7.654 -11.991 -23.128 1.00 14.42 H new ATOM 779 N GLY A 49 6.694 -7.824 -21.578 1.00 23.53 N ATOM 780 CA GLY A 49 6.835 -6.470 -21.073 1.00 72.21 C ATOM 781 C GLY A 49 5.887 -5.498 -21.748 1.00 21.00 C ATOM 782 O GLY A 49 6.033 -4.282 -21.612 1.00 62.22 O ATOM 0 H GLY A 49 7.352 -8.077 -22.315 1.00 23.53 H new ATOM 0 HA2 GLY A 49 6.651 -6.465 -19.999 1.00 72.21 H new ATOM 0 HA3 GLY A 49 7.861 -6.135 -21.222 1.00 72.21 H new ATOM 786 N LEU A 50 4.915 -6.033 -22.478 1.00 5.32 N ATOM 787 CA LEU A 50 3.939 -5.203 -23.178 1.00 41.13 C ATOM 788 C LEU A 50 2.659 -5.060 -22.361 1.00 41.52 C ATOM 789 O LEU A 50 1.929 -4.078 -22.498 1.00 71.34 O ATOM 790 CB LEU A 50 3.619 -5.805 -24.548 1.00 12.43 C ATOM 791 CG LEU A 50 4.792 -5.913 -25.524 1.00 60.21 C ATOM 792 CD1 LEU A 50 4.312 -6.405 -26.881 1.00 3.40 C ATOM 793 CD2 LEU A 50 5.498 -4.572 -25.660 1.00 23.15 C ATOM 0 H LEU A 50 4.781 -7.037 -22.601 1.00 5.32 H new ATOM 0 HA LEU A 50 4.372 -4.212 -23.315 1.00 41.13 H new ATOM 0 HB2 LEU A 50 3.205 -6.802 -24.397 1.00 12.43 H new ATOM 0 HB3 LEU A 50 2.839 -5.203 -25.014 1.00 12.43 H new ATOM 0 HG LEU A 50 5.504 -6.637 -25.128 1.00 60.21 H new ATOM 0 HD11 LEU A 50 5.159 -6.476 -27.563 1.00 3.40 H new ATOM 0 HD12 LEU A 50 3.852 -7.387 -26.770 1.00 3.40 H new ATOM 0 HD13 LEU A 50 3.580 -5.705 -27.284 1.00 3.40 H new ATOM 0 HD21 LEU A 50 6.330 -4.668 -26.358 1.00 23.15 H new ATOM 0 HD22 LEU A 50 4.795 -3.827 -26.033 1.00 23.15 H new ATOM 0 HD23 LEU A 50 5.876 -4.259 -24.687 1.00 23.15 H new ATOM 805 N LEU A 51 2.394 -6.045 -21.510 1.00 21.10 N ATOM 806 CA LEU A 51 1.203 -6.029 -20.668 1.00 13.01 C ATOM 807 C LEU A 51 1.301 -4.937 -19.608 1.00 63.12 C ATOM 808 O LEU A 51 0.287 -4.432 -19.129 1.00 25.54 O ATOM 809 CB LEU A 51 1.009 -7.390 -19.999 1.00 44.32 C ATOM 810 CG LEU A 51 0.875 -8.589 -20.939 1.00 4.24 C ATOM 811 CD1 LEU A 51 1.242 -9.877 -20.218 1.00 34.35 C ATOM 812 CD2 LEU A 51 -0.538 -8.672 -21.498 1.00 53.22 C ATOM 0 H LEU A 51 2.988 -6.865 -21.385 1.00 21.10 H new ATOM 0 HA LEU A 51 0.342 -5.818 -21.302 1.00 13.01 H new ATOM 0 HB2 LEU A 51 1.854 -7.569 -19.333 1.00 44.32 H new ATOM 0 HB3 LEU A 51 0.116 -7.342 -19.375 1.00 44.32 H new ATOM 0 HG LEU A 51 1.566 -8.454 -21.771 1.00 4.24 H new ATOM 0 HD11 LEU A 51 1.141 -10.719 -20.903 1.00 34.35 H new ATOM 0 HD12 LEU A 51 2.272 -9.817 -19.867 1.00 34.35 H new ATOM 0 HD13 LEU A 51 0.577 -10.020 -19.367 1.00 34.35 H new ATOM 0 HD21 LEU A 51 -0.616 -9.531 -22.165 1.00 53.22 H new ATOM 0 HD22 LEU A 51 -1.248 -8.784 -20.678 1.00 53.22 H new ATOM 0 HD23 LEU A 51 -0.764 -7.761 -22.052 1.00 53.22 H new ATOM 824 N GLU A 52 2.529 -4.577 -19.248 1.00 33.43 N ATOM 825 CA GLU A 52 2.758 -3.543 -18.246 1.00 24.50 C ATOM 826 C GLU A 52 2.501 -2.155 -18.826 1.00 5.03 C ATOM 827 O GLU A 52 2.524 -1.154 -18.108 1.00 71.44 O ATOM 828 CB GLU A 52 4.190 -3.627 -17.712 1.00 64.34 C ATOM 829 CG GLU A 52 5.236 -3.127 -18.693 1.00 73.44 C ATOM 830 CD GLU A 52 6.588 -3.784 -18.490 1.00 22.41 C ATOM 831 OE1 GLU A 52 6.620 -4.953 -18.055 1.00 43.22 O ATOM 832 OE2 GLU A 52 7.613 -3.127 -18.766 1.00 32.12 O ATOM 0 H GLU A 52 3.380 -4.986 -19.635 1.00 33.43 H new ATOM 0 HA GLU A 52 2.061 -3.709 -17.425 1.00 24.50 H new ATOM 0 HB2 GLU A 52 4.260 -3.047 -16.792 1.00 64.34 H new ATOM 0 HB3 GLU A 52 4.412 -4.662 -17.453 1.00 64.34 H new ATOM 0 HG2 GLU A 52 4.894 -3.316 -19.711 1.00 73.44 H new ATOM 0 HG3 GLU A 52 5.341 -2.047 -18.587 1.00 73.44 H new ATOM 839 N THR A 53 2.256 -2.102 -20.131 1.00 74.50 N ATOM 840 CA THR A 53 1.997 -0.839 -20.810 1.00 30.01 C ATOM 841 C THR A 53 0.612 -0.831 -21.447 1.00 43.22 C ATOM 842 O THR A 53 0.236 -1.769 -22.149 1.00 33.11 O ATOM 843 CB THR A 53 3.051 -0.558 -21.898 1.00 1.41 C ATOM 844 OG1 THR A 53 2.836 -1.419 -23.022 1.00 3.42 O ATOM 845 CG2 THR A 53 4.457 -0.767 -21.355 1.00 21.14 C ATOM 0 H THR A 53 2.232 -2.920 -20.739 1.00 74.50 H new ATOM 0 HA THR A 53 2.051 -0.057 -20.052 1.00 30.01 H new ATOM 0 HB THR A 53 2.950 0.481 -22.212 1.00 1.41 H new ATOM 0 HG1 THR A 53 2.500 -2.285 -22.711 1.00 3.42 H new ATOM 0 HG21 THR A 53 5.185 -0.563 -22.141 1.00 21.14 H new ATOM 0 HG22 THR A 53 4.628 -0.091 -20.518 1.00 21.14 H new ATOM 0 HG23 THR A 53 4.567 -1.797 -21.017 1.00 21.14 H new ATOM 853 N SER A 54 -0.143 0.235 -21.198 1.00 43.00 N ATOM 854 CA SER A 54 -1.489 0.363 -21.745 1.00 42.14 C ATOM 855 C SER A 54 -1.473 0.225 -23.264 1.00 41.12 C ATOM 856 O SER A 54 -2.466 -0.174 -23.871 1.00 71.12 O ATOM 857 CB SER A 54 -2.096 1.710 -21.350 1.00 54.11 C ATOM 858 OG SER A 54 -2.056 2.624 -22.432 1.00 61.11 O ATOM 0 H SER A 54 0.155 1.022 -20.621 1.00 43.00 H new ATOM 0 HA SER A 54 -2.101 -0.439 -21.331 1.00 42.14 H new ATOM 0 HB2 SER A 54 -3.128 1.567 -21.028 1.00 54.11 H new ATOM 0 HB3 SER A 54 -1.552 2.123 -20.501 1.00 54.11 H new ATOM 0 HG SER A 54 -2.451 3.477 -22.155 1.00 61.11 H new ATOM 864 N GLU A 55 -0.338 0.558 -23.870 1.00 55.21 N ATOM 865 CA GLU A 55 -0.193 0.471 -25.319 1.00 1.23 C ATOM 866 C GLU A 55 0.003 -0.976 -25.761 1.00 63.21 C ATOM 867 O GLU A 55 -0.649 -1.445 -26.693 1.00 72.21 O ATOM 868 CB GLU A 55 0.989 1.323 -25.787 1.00 51.51 C ATOM 869 CG GLU A 55 0.579 2.538 -26.602 1.00 4.31 C ATOM 870 CD GLU A 55 0.847 2.364 -28.084 1.00 2.13 C ATOM 871 OE1 GLU A 55 1.956 1.913 -28.438 1.00 52.01 O ATOM 872 OE2 GLU A 55 -0.053 2.680 -28.889 1.00 21.44 O ATOM 0 H GLU A 55 0.494 0.890 -23.381 1.00 55.21 H new ATOM 0 HA GLU A 55 -1.108 0.850 -25.773 1.00 1.23 H new ATOM 0 HB2 GLU A 55 1.554 1.654 -24.916 1.00 51.51 H new ATOM 0 HB3 GLU A 55 1.658 0.704 -26.385 1.00 51.51 H new ATOM 0 HG2 GLU A 55 -0.483 2.732 -26.449 1.00 4.31 H new ATOM 0 HG3 GLU A 55 1.118 3.413 -26.239 1.00 4.31 H new ATOM 879 N GLY A 56 0.905 -1.679 -25.083 1.00 54.22 N ATOM 880 CA GLY A 56 1.171 -3.066 -25.421 1.00 15.43 C ATOM 881 C GLY A 56 -0.077 -3.924 -25.371 1.00 71.23 C ATOM 882 O GLY A 56 -0.380 -4.646 -26.322 1.00 54.10 O ATOM 0 H GLY A 56 1.456 -1.314 -24.306 1.00 54.22 H new ATOM 0 HA2 GLY A 56 1.603 -3.117 -26.420 1.00 15.43 H new ATOM 0 HA3 GLY A 56 1.913 -3.469 -24.732 1.00 15.43 H new ATOM 886 N CYS A 57 -0.801 -3.848 -24.260 1.00 34.55 N ATOM 887 CA CYS A 57 -2.023 -4.626 -24.090 1.00 63.31 C ATOM 888 C CYS A 57 -2.980 -4.399 -25.255 1.00 61.02 C ATOM 889 O CYS A 57 -3.592 -5.340 -25.761 1.00 51.01 O ATOM 890 CB CYS A 57 -2.707 -4.257 -22.773 1.00 25.30 C ATOM 891 SG CYS A 57 -2.427 -5.445 -21.437 1.00 35.34 S ATOM 0 H CYS A 57 -0.563 -3.256 -23.464 1.00 34.55 H new ATOM 0 HA CYS A 57 -1.752 -5.682 -24.068 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -2.352 -3.277 -22.454 1.00 25.30 H new ATOM 0 HB3 CYS A 57 -3.779 -4.167 -22.946 1.00 25.30 H new ATOM 0 HG CYS A 57 -3.043 -5.045 -20.364 1.00 35.34 H new ATOM 897 N ARG A 58 -3.106 -3.145 -25.675 1.00 10.34 N ATOM 898 CA ARG A 58 -3.992 -2.793 -26.779 1.00 14.52 C ATOM 899 C ARG A 58 -3.558 -3.489 -28.066 1.00 64.13 C ATOM 900 O ARG A 58 -4.386 -4.023 -28.802 1.00 62.50 O ATOM 901 CB ARG A 58 -4.006 -1.278 -26.987 1.00 4.11 C ATOM 902 CG ARG A 58 -5.343 -0.742 -27.472 1.00 63.02 C ATOM 903 CD ARG A 58 -5.163 0.456 -28.390 1.00 33.34 C ATOM 904 NE ARG A 58 -6.030 1.570 -28.013 1.00 60.14 N ATOM 905 CZ ARG A 58 -5.906 2.797 -28.505 1.00 53.22 C ATOM 906 NH1 ARG A 58 -4.955 3.068 -29.389 1.00 33.11 N ATOM 907 NH2 ARG A 58 -6.734 3.758 -28.113 1.00 53.51 N ATOM 0 H ARG A 58 -2.606 -2.355 -25.268 1.00 10.34 H new ATOM 0 HA ARG A 58 -4.998 -3.127 -26.525 1.00 14.52 H new ATOM 0 HB2 ARG A 58 -3.747 -0.789 -26.048 1.00 4.11 H new ATOM 0 HB3 ARG A 58 -3.234 -1.012 -27.709 1.00 4.11 H new ATOM 0 HG2 ARG A 58 -5.882 -1.529 -28.000 1.00 63.02 H new ATOM 0 HG3 ARG A 58 -5.954 -0.457 -26.616 1.00 63.02 H new ATOM 0 HD2 ARG A 58 -4.123 0.781 -28.362 1.00 33.34 H new ATOM 0 HD3 ARG A 58 -5.378 0.161 -29.417 1.00 33.34 H new ATOM 0 HE ARG A 58 -6.771 1.395 -27.334 1.00 60.14 H new ATOM 0 HH11 ARG A 58 -4.316 2.333 -29.693 1.00 33.11 H new ATOM 0 HH12 ARG A 58 -4.862 4.012 -29.765 1.00 33.11 H new ATOM 0 HH21 ARG A 58 -7.466 3.554 -27.433 1.00 53.51 H new ATOM 0 HH22 ARG A 58 -6.638 4.700 -28.492 1.00 53.51 H new ATOM 921 N GLN A 59 -2.255 -3.478 -28.329 1.00 63.22 N ATOM 922 CA GLN A 59 -1.713 -4.108 -29.527 1.00 23.21 C ATOM 923 C GLN A 59 -1.986 -5.608 -29.525 1.00 44.45 C ATOM 924 O GLN A 59 -2.164 -6.219 -30.579 1.00 14.24 O ATOM 925 CB GLN A 59 -0.209 -3.851 -29.628 1.00 40.34 C ATOM 926 CG GLN A 59 0.413 -4.369 -30.915 1.00 21.14 C ATOM 927 CD GLN A 59 1.655 -3.598 -31.315 1.00 22.14 C ATOM 928 OE1 GLN A 59 1.598 -2.395 -31.572 1.00 2.12 O ATOM 929 NE2 GLN A 59 2.788 -4.288 -31.369 1.00 11.32 N ATOM 0 H GLN A 59 -1.556 -3.040 -27.729 1.00 63.22 H new ATOM 0 HA GLN A 59 -2.208 -3.669 -30.393 1.00 23.21 H new ATOM 0 HB2 GLN A 59 -0.026 -2.779 -29.552 1.00 40.34 H new ATOM 0 HB3 GLN A 59 0.289 -4.320 -28.779 1.00 40.34 H new ATOM 0 HG2 GLN A 59 0.667 -5.422 -30.793 1.00 21.14 H new ATOM 0 HG3 GLN A 59 -0.321 -4.310 -31.718 1.00 21.14 H new ATOM 0 HE21 GLN A 59 2.790 -5.284 -31.148 1.00 11.32 H new ATOM 0 HE22 GLN A 59 3.657 -3.822 -31.632 1.00 11.32 H new ATOM 938 N ILE A 60 -2.016 -6.197 -28.334 1.00 62.31 N ATOM 939 CA ILE A 60 -2.268 -7.626 -28.195 1.00 33.33 C ATOM 940 C ILE A 60 -3.738 -7.952 -28.442 1.00 53.34 C ATOM 941 O ILE A 60 -4.062 -8.894 -29.166 1.00 33.32 O ATOM 942 CB ILE A 60 -1.869 -8.135 -26.797 1.00 10.05 C ATOM 943 CG1 ILE A 60 -0.389 -7.852 -26.531 1.00 71.31 C ATOM 944 CG2 ILE A 60 -2.161 -9.623 -26.672 1.00 11.31 C ATOM 945 CD1 ILE A 60 -0.016 -7.910 -25.067 1.00 41.31 C ATOM 0 H ILE A 60 -1.869 -5.707 -27.452 1.00 62.31 H new ATOM 0 HA ILE A 60 -1.656 -8.128 -28.944 1.00 33.33 H new ATOM 0 HB ILE A 60 -2.461 -7.605 -26.050 1.00 10.05 H new ATOM 0 HG12 ILE A 60 0.215 -8.574 -27.080 1.00 71.31 H new ATOM 0 HG13 ILE A 60 -0.140 -6.865 -26.922 1.00 71.31 H new ATOM 0 HG21 ILE A 60 -1.874 -9.968 -25.679 1.00 11.31 H new ATOM 0 HG22 ILE A 60 -3.226 -9.799 -26.823 1.00 11.31 H new ATOM 0 HG23 ILE A 60 -1.593 -10.170 -27.424 1.00 11.31 H new ATOM 0 HD11 ILE A 60 1.047 -7.699 -24.954 1.00 41.31 H new ATOM 0 HD12 ILE A 60 -0.593 -7.169 -24.515 1.00 41.31 H new ATOM 0 HD13 ILE A 60 -0.233 -8.904 -24.675 1.00 41.31 H new ATOM 957 N LEU A 61 -4.621 -7.167 -27.836 1.00 33.21 N ATOM 958 CA LEU A 61 -6.058 -7.370 -27.991 1.00 73.12 C ATOM 959 C LEU A 61 -6.481 -7.176 -29.444 1.00 62.05 C ATOM 960 O LEU A 61 -7.483 -7.735 -29.889 1.00 24.22 O ATOM 961 CB LEU A 61 -6.830 -6.406 -27.089 1.00 34.33 C ATOM 962 CG LEU A 61 -6.576 -6.542 -25.588 1.00 74.31 C ATOM 963 CD1 LEU A 61 -7.028 -5.289 -24.855 1.00 65.24 C ATOM 964 CD2 LEU A 61 -7.284 -7.770 -25.037 1.00 62.15 C ATOM 0 H LEU A 61 -4.368 -6.384 -27.233 1.00 33.21 H new ATOM 0 HA LEU A 61 -6.289 -8.394 -27.698 1.00 73.12 H new ATOM 0 HB2 LEU A 61 -6.586 -5.387 -27.388 1.00 34.33 H new ATOM 0 HB3 LEU A 61 -7.896 -6.545 -27.271 1.00 34.33 H new ATOM 0 HG LEU A 61 -5.505 -6.664 -25.429 1.00 74.31 H new ATOM 0 HD11 LEU A 61 -6.839 -5.404 -23.788 1.00 65.24 H new ATOM 0 HD12 LEU A 61 -6.475 -4.428 -25.231 1.00 65.24 H new ATOM 0 HD13 LEU A 61 -8.094 -5.135 -25.021 1.00 65.24 H new ATOM 0 HD21 LEU A 61 -7.092 -7.851 -23.967 1.00 62.15 H new ATOM 0 HD22 LEU A 61 -8.357 -7.679 -25.207 1.00 62.15 H new ATOM 0 HD23 LEU A 61 -6.911 -8.662 -25.541 1.00 62.15 H new ATOM 976 N GLY A 62 -5.709 -6.382 -30.179 1.00 31.12 N ATOM 977 CA GLY A 62 -6.020 -6.130 -31.574 1.00 41.03 C ATOM 978 C GLY A 62 -5.884 -7.372 -32.432 1.00 42.44 C ATOM 979 O GLY A 62 -6.667 -7.583 -33.358 1.00 45.21 O ATOM 0 H GLY A 62 -4.874 -5.909 -29.834 1.00 31.12 H new ATOM 0 HA2 GLY A 62 -7.038 -5.747 -31.653 1.00 41.03 H new ATOM 0 HA3 GLY A 62 -5.357 -5.354 -31.956 1.00 41.03 H new ATOM 983 N GLN A 63 -4.887 -8.195 -32.125 1.00 55.24 N ATOM 984 CA GLN A 63 -4.650 -9.422 -32.877 1.00 12.12 C ATOM 985 C GLN A 63 -5.600 -10.527 -32.429 1.00 54.12 C ATOM 986 O GLN A 63 -6.074 -11.320 -33.243 1.00 44.55 O ATOM 987 CB GLN A 63 -3.200 -9.879 -32.706 1.00 2.54 C ATOM 988 CG GLN A 63 -2.274 -9.391 -33.808 1.00 43.42 C ATOM 989 CD GLN A 63 -0.913 -10.058 -33.765 1.00 65.44 C ATOM 990 OE1 GLN A 63 -0.810 -11.285 -33.795 1.00 1.45 O ATOM 991 NE2 GLN A 63 0.140 -9.253 -33.695 1.00 20.32 N ATOM 0 H GLN A 63 -4.230 -8.035 -31.361 1.00 55.24 H new ATOM 0 HA GLN A 63 -4.835 -9.214 -33.931 1.00 12.12 H new ATOM 0 HB2 GLN A 63 -2.827 -9.524 -31.746 1.00 2.54 H new ATOM 0 HB3 GLN A 63 -3.172 -10.968 -32.676 1.00 2.54 H new ATOM 0 HG2 GLN A 63 -2.737 -9.580 -34.777 1.00 43.42 H new ATOM 0 HG3 GLN A 63 -2.148 -8.312 -33.720 1.00 43.42 H new ATOM 0 HE21 GLN A 63 0.008 -8.242 -33.672 1.00 20.32 H new ATOM 0 HE22 GLN A 63 1.081 -9.646 -33.664 1.00 20.32 H new ATOM 1000 N LEU A 64 -5.874 -10.574 -31.130 1.00 11.24 N ATOM 1001 CA LEU A 64 -6.768 -11.582 -30.573 1.00 44.05 C ATOM 1002 C LEU A 64 -8.222 -11.261 -30.898 1.00 21.41 C ATOM 1003 O LEU A 64 -9.066 -12.155 -30.961 1.00 4.15 O ATOM 1004 CB LEU A 64 -6.581 -11.676 -29.057 1.00 41.04 C ATOM 1005 CG LEU A 64 -5.183 -12.067 -28.576 1.00 15.13 C ATOM 1006 CD1 LEU A 64 -5.138 -12.124 -27.057 1.00 3.35 C ATOM 1007 CD2 LEU A 64 -4.766 -13.402 -29.174 1.00 41.15 C ATOM 0 H LEU A 64 -5.490 -9.925 -30.443 1.00 11.24 H new ATOM 0 HA LEU A 64 -6.518 -12.542 -31.025 1.00 44.05 H new ATOM 0 HB2 LEU A 64 -6.838 -10.711 -28.619 1.00 41.04 H new ATOM 0 HB3 LEU A 64 -7.294 -12.403 -28.667 1.00 41.04 H new ATOM 0 HG LEU A 64 -4.479 -11.306 -28.912 1.00 15.13 H new ATOM 0 HD11 LEU A 64 -4.136 -12.404 -26.733 1.00 3.35 H new ATOM 0 HD12 LEU A 64 -5.392 -11.146 -26.649 1.00 3.35 H new ATOM 0 HD13 LEU A 64 -5.855 -12.863 -26.699 1.00 3.35 H new ATOM 0 HD21 LEU A 64 -3.769 -13.663 -28.820 1.00 41.15 H new ATOM 0 HD22 LEU A 64 -5.473 -14.174 -28.870 1.00 41.15 H new ATOM 0 HD23 LEU A 64 -4.757 -13.327 -30.261 1.00 41.15 H new ATOM 1019 N GLN A 65 -8.507 -9.980 -31.107 1.00 22.14 N ATOM 1020 CA GLN A 65 -9.860 -9.540 -31.428 1.00 44.01 C ATOM 1021 C GLN A 65 -10.428 -10.337 -32.598 1.00 54.03 C ATOM 1022 O GLN A 65 -11.432 -11.037 -32.475 1.00 62.33 O ATOM 1023 CB GLN A 65 -9.869 -8.047 -31.759 1.00 60.32 C ATOM 1024 CG GLN A 65 -10.457 -7.183 -30.655 1.00 12.43 C ATOM 1025 CD GLN A 65 -10.924 -5.831 -31.158 1.00 74.33 C ATOM 1026 OE1 GLN A 65 -10.251 -5.190 -31.967 1.00 1.14 O ATOM 1027 NE2 GLN A 65 -12.083 -5.391 -30.683 1.00 4.41 N ATOM 0 H GLN A 65 -7.819 -9.228 -31.060 1.00 22.14 H new ATOM 0 HA GLN A 65 -10.489 -9.714 -30.555 1.00 44.01 H new ATOM 0 HB2 GLN A 65 -8.848 -7.721 -31.959 1.00 60.32 H new ATOM 0 HB3 GLN A 65 -10.439 -7.890 -32.675 1.00 60.32 H new ATOM 0 HG2 GLN A 65 -11.297 -7.706 -30.198 1.00 12.43 H new ATOM 0 HG3 GLN A 65 -9.709 -7.038 -29.875 1.00 12.43 H new ATOM 0 HE21 GLN A 65 -12.607 -5.955 -30.014 1.00 4.41 H new ATOM 0 HE22 GLN A 65 -12.449 -4.489 -30.987 1.00 4.41 H new ATOM 1036 N PRO A 66 -9.770 -10.228 -33.762 1.00 13.03 N ATOM 1037 CA PRO A 66 -10.191 -10.930 -34.978 1.00 42.14 C ATOM 1038 C PRO A 66 -9.971 -12.437 -34.882 1.00 71.30 C ATOM 1039 O PRO A 66 -10.536 -13.207 -35.659 1.00 23.32 O ATOM 1040 CB PRO A 66 -9.297 -10.328 -36.065 1.00 2.12 C ATOM 1041 CG PRO A 66 -8.087 -9.851 -35.337 1.00 70.12 C ATOM 1042 CD PRO A 66 -8.565 -9.411 -33.981 1.00 35.44 C ATOM 0 HA PRO A 66 -11.257 -10.809 -35.169 1.00 42.14 H new ATOM 0 HB2 PRO A 66 -9.038 -11.070 -36.821 1.00 2.12 H new ATOM 0 HB3 PRO A 66 -9.798 -9.509 -36.581 1.00 2.12 H new ATOM 0 HG2 PRO A 66 -7.346 -10.645 -35.250 1.00 70.12 H new ATOM 0 HG3 PRO A 66 -7.611 -9.027 -35.869 1.00 70.12 H new ATOM 0 HD2 PRO A 66 -7.813 -9.590 -33.212 1.00 35.44 H new ATOM 0 HD3 PRO A 66 -8.793 -8.345 -33.962 1.00 35.44 H new ATOM 1050 N SER A 67 -9.147 -12.850 -33.925 1.00 1.12 N ATOM 1051 CA SER A 67 -8.850 -14.264 -33.730 1.00 74.35 C ATOM 1052 C SER A 67 -9.952 -14.945 -32.922 1.00 34.22 C ATOM 1053 O SER A 67 -10.179 -16.148 -33.051 1.00 70.44 O ATOM 1054 CB SER A 67 -7.505 -14.432 -33.022 1.00 44.32 C ATOM 1055 OG SER A 67 -6.444 -13.932 -33.816 1.00 72.33 O ATOM 0 H SER A 67 -8.673 -12.226 -33.272 1.00 1.12 H new ATOM 0 HA SER A 67 -8.797 -14.737 -34.711 1.00 74.35 H new ATOM 0 HB2 SER A 67 -7.526 -13.908 -32.066 1.00 44.32 H new ATOM 0 HB3 SER A 67 -7.335 -15.486 -32.804 1.00 44.32 H new ATOM 0 HG SER A 67 -6.145 -13.071 -33.457 1.00 72.33 H new ATOM 1061 N LEU A 68 -10.632 -14.166 -32.089 1.00 23.42 N ATOM 1062 CA LEU A 68 -11.710 -14.691 -31.259 1.00 23.34 C ATOM 1063 C LEU A 68 -12.723 -15.458 -32.103 1.00 74.13 C ATOM 1064 O LEU A 68 -13.357 -16.399 -31.626 1.00 10.03 O ATOM 1065 CB LEU A 68 -12.410 -13.551 -30.515 1.00 71.43 C ATOM 1066 CG LEU A 68 -11.643 -12.949 -29.338 1.00 65.21 C ATOM 1067 CD1 LEU A 68 -11.896 -11.452 -29.246 1.00 44.30 C ATOM 1068 CD2 LEU A 68 -12.034 -13.639 -28.038 1.00 55.24 C ATOM 0 H LEU A 68 -10.456 -13.168 -31.970 1.00 23.42 H new ATOM 0 HA LEU A 68 -11.274 -15.377 -30.533 1.00 23.34 H new ATOM 0 HB2 LEU A 68 -12.624 -12.755 -31.229 1.00 71.43 H new ATOM 0 HB3 LEU A 68 -13.369 -13.917 -30.149 1.00 71.43 H new ATOM 0 HG LEU A 68 -10.577 -13.107 -29.504 1.00 65.21 H new ATOM 0 HD11 LEU A 68 -11.342 -11.041 -28.402 1.00 44.30 H new ATOM 0 HD12 LEU A 68 -11.566 -10.970 -30.166 1.00 44.30 H new ATOM 0 HD13 LEU A 68 -12.961 -11.271 -29.103 1.00 44.30 H new ATOM 0 HD21 LEU A 68 -11.478 -13.198 -27.211 1.00 55.24 H new ATOM 0 HD22 LEU A 68 -13.103 -13.512 -27.866 1.00 55.24 H new ATOM 0 HD23 LEU A 68 -11.801 -14.702 -28.106 1.00 55.24 H new ATOM 1080 N GLN A 69 -12.867 -15.051 -33.361 1.00 44.04 N ATOM 1081 CA GLN A 69 -13.802 -15.703 -34.271 1.00 53.22 C ATOM 1082 C GLN A 69 -13.489 -17.190 -34.400 1.00 52.41 C ATOM 1083 O GLN A 69 -14.380 -18.034 -34.300 1.00 61.00 O ATOM 1084 CB GLN A 69 -13.751 -15.039 -35.648 1.00 34.13 C ATOM 1085 CG GLN A 69 -15.047 -15.164 -36.432 1.00 30.50 C ATOM 1086 CD GLN A 69 -16.010 -14.026 -36.155 1.00 51.02 C ATOM 1087 OE1 GLN A 69 -15.606 -12.866 -36.055 1.00 43.15 O ATOM 1088 NE2 GLN A 69 -17.291 -14.351 -36.030 1.00 2.50 N ATOM 0 H GLN A 69 -12.349 -14.274 -33.772 1.00 44.04 H new ATOM 0 HA GLN A 69 -14.806 -15.596 -33.859 1.00 53.22 H new ATOM 0 HB2 GLN A 69 -13.511 -13.983 -35.524 1.00 34.13 H new ATOM 0 HB3 GLN A 69 -12.942 -15.484 -36.227 1.00 34.13 H new ATOM 0 HG2 GLN A 69 -14.821 -15.192 -37.498 1.00 30.50 H new ATOM 0 HG3 GLN A 69 -15.528 -16.110 -36.183 1.00 30.50 H new ATOM 0 HE21 GLN A 69 -17.581 -15.325 -36.120 1.00 2.50 H new ATOM 0 HE22 GLN A 69 -17.985 -13.627 -35.844 1.00 2.50 H new ATOM 1097 N THR A 70 -12.217 -17.506 -34.622 1.00 2.25 N ATOM 1098 CA THR A 70 -11.787 -18.891 -34.767 1.00 4.25 C ATOM 1099 C THR A 70 -10.668 -19.224 -33.786 1.00 72.11 C ATOM 1100 O THR A 70 -9.687 -19.874 -34.146 1.00 64.34 O ATOM 1101 CB THR A 70 -11.303 -19.182 -36.199 1.00 53.12 C ATOM 1102 OG1 THR A 70 -12.168 -18.549 -37.147 1.00 73.12 O ATOM 1103 CG2 THR A 70 -11.264 -20.680 -36.462 1.00 74.23 C ATOM 0 H THR A 70 -11.466 -16.821 -34.705 1.00 2.25 H new ATOM 0 HA THR A 70 -12.654 -19.516 -34.551 1.00 4.25 H new ATOM 0 HB THR A 70 -10.294 -18.783 -36.306 1.00 53.12 H new ATOM 0 HG1 THR A 70 -11.852 -18.738 -38.055 1.00 73.12 H new ATOM 0 HG21 THR A 70 -10.919 -20.862 -37.480 1.00 74.23 H new ATOM 0 HG22 THR A 70 -10.582 -21.155 -35.757 1.00 74.23 H new ATOM 0 HG23 THR A 70 -12.263 -21.097 -36.337 1.00 74.23 H new ATOM 1111 N GLY A 71 -10.821 -18.773 -32.544 1.00 62.41 N ATOM 1112 CA GLY A 71 -9.816 -19.035 -31.530 1.00 34.22 C ATOM 1113 C GLY A 71 -10.175 -20.213 -30.648 1.00 3.40 C ATOM 1114 O GLY A 71 -11.306 -20.699 -30.678 1.00 74.21 O ATOM 0 H GLY A 71 -11.623 -18.231 -32.222 1.00 62.41 H new ATOM 0 HA2 GLY A 71 -8.858 -19.226 -32.013 1.00 34.22 H new ATOM 0 HA3 GLY A 71 -9.689 -18.147 -30.911 1.00 34.22 H new ATOM 1118 N SER A 72 -9.211 -20.675 -29.858 1.00 12.04 N ATOM 1119 CA SER A 72 -9.429 -21.807 -28.966 1.00 23.32 C ATOM 1120 C SER A 72 -9.442 -21.356 -27.508 1.00 62.31 C ATOM 1121 O SER A 72 -9.442 -20.160 -27.218 1.00 60.51 O ATOM 1122 CB SER A 72 -8.344 -22.865 -29.175 1.00 4.11 C ATOM 1123 OG SER A 72 -7.074 -22.376 -28.781 1.00 43.31 O ATOM 0 H SER A 72 -8.271 -20.282 -29.818 1.00 12.04 H new ATOM 0 HA SER A 72 -10.400 -22.242 -29.202 1.00 23.32 H new ATOM 0 HB2 SER A 72 -8.587 -23.759 -28.601 1.00 4.11 H new ATOM 0 HB3 SER A 72 -8.315 -23.159 -30.224 1.00 4.11 H new ATOM 0 HG SER A 72 -6.398 -23.071 -28.922 1.00 43.31 H new ATOM 1129 N GLU A 73 -9.453 -22.322 -26.596 1.00 64.02 N ATOM 1130 CA GLU A 73 -9.467 -22.025 -25.169 1.00 31.22 C ATOM 1131 C GLU A 73 -8.252 -21.191 -24.775 1.00 2.04 C ATOM 1132 O GLU A 73 -8.290 -20.447 -23.796 1.00 14.52 O ATOM 1133 CB GLU A 73 -9.495 -23.321 -24.356 1.00 23.14 C ATOM 1134 CG GLU A 73 -10.269 -23.205 -23.053 1.00 25.41 C ATOM 1135 CD GLU A 73 -10.442 -24.542 -22.357 1.00 23.05 C ATOM 1136 OE1 GLU A 73 -11.211 -25.382 -22.869 1.00 51.33 O ATOM 1137 OE2 GLU A 73 -9.809 -24.747 -21.300 1.00 1.13 O ATOM 0 H GLU A 73 -9.452 -23.317 -26.820 1.00 64.02 H new ATOM 0 HA GLU A 73 -10.367 -21.449 -24.953 1.00 31.22 H new ATOM 0 HB2 GLU A 73 -9.937 -24.111 -24.963 1.00 23.14 H new ATOM 0 HB3 GLU A 73 -8.471 -23.624 -24.135 1.00 23.14 H new ATOM 0 HG2 GLU A 73 -9.750 -22.517 -22.386 1.00 25.41 H new ATOM 0 HG3 GLU A 73 -11.250 -22.775 -23.254 1.00 25.41 H new ATOM 1144 N GLU A 74 -7.177 -21.322 -25.546 1.00 11.51 N ATOM 1145 CA GLU A 74 -5.950 -20.581 -25.276 1.00 11.12 C ATOM 1146 C GLU A 74 -6.127 -19.100 -25.597 1.00 53.03 C ATOM 1147 O GLU A 74 -5.553 -18.235 -24.933 1.00 73.33 O ATOM 1148 CB GLU A 74 -4.791 -21.156 -26.093 1.00 50.31 C ATOM 1149 CG GLU A 74 -3.603 -21.582 -25.246 1.00 73.41 C ATOM 1150 CD GLU A 74 -2.611 -22.430 -26.019 1.00 12.41 C ATOM 1151 OE1 GLU A 74 -2.806 -23.662 -26.082 1.00 31.13 O ATOM 1152 OE2 GLU A 74 -1.639 -21.861 -26.560 1.00 71.11 O ATOM 0 H GLU A 74 -7.131 -21.933 -26.361 1.00 11.51 H new ATOM 0 HA GLU A 74 -5.722 -20.680 -24.215 1.00 11.12 H new ATOM 0 HB2 GLU A 74 -5.149 -22.015 -26.661 1.00 50.31 H new ATOM 0 HB3 GLU A 74 -4.462 -20.410 -26.817 1.00 50.31 H new ATOM 0 HG2 GLU A 74 -3.097 -20.695 -24.864 1.00 73.41 H new ATOM 0 HG3 GLU A 74 -3.960 -22.143 -24.382 1.00 73.41 H new ATOM 1159 N LEU A 75 -6.924 -18.814 -26.622 1.00 5.34 N ATOM 1160 CA LEU A 75 -7.178 -17.437 -27.032 1.00 41.03 C ATOM 1161 C LEU A 75 -8.127 -16.744 -26.059 1.00 73.51 C ATOM 1162 O LEU A 75 -7.900 -15.601 -25.666 1.00 24.13 O ATOM 1163 CB LEU A 75 -7.765 -17.406 -28.444 1.00 55.22 C ATOM 1164 CG LEU A 75 -7.426 -16.175 -29.285 1.00 12.02 C ATOM 1165 CD1 LEU A 75 -6.235 -16.456 -30.188 1.00 72.14 C ATOM 1166 CD2 LEU A 75 -8.630 -15.743 -30.108 1.00 24.05 C ATOM 0 H LEU A 75 -7.405 -19.517 -27.184 1.00 5.34 H new ATOM 0 HA LEU A 75 -6.229 -16.901 -27.027 1.00 41.03 H new ATOM 0 HB2 LEU A 75 -7.422 -18.292 -28.978 1.00 55.22 H new ATOM 0 HB3 LEU A 75 -8.850 -17.481 -28.367 1.00 55.22 H new ATOM 0 HG LEU A 75 -7.161 -15.361 -28.611 1.00 12.02 H new ATOM 0 HD11 LEU A 75 -6.009 -15.568 -30.779 1.00 72.14 H new ATOM 0 HD12 LEU A 75 -5.370 -16.716 -29.578 1.00 72.14 H new ATOM 0 HD13 LEU A 75 -6.472 -17.285 -30.855 1.00 72.14 H new ATOM 0 HD21 LEU A 75 -8.370 -14.866 -30.700 1.00 24.05 H new ATOM 0 HD22 LEU A 75 -8.926 -16.554 -30.773 1.00 24.05 H new ATOM 0 HD23 LEU A 75 -9.457 -15.499 -29.442 1.00 24.05 H new ATOM 1178 N ARG A 76 -9.187 -17.446 -25.675 1.00 23.54 N ATOM 1179 CA ARG A 76 -10.171 -16.899 -24.748 1.00 1.35 C ATOM 1180 C ARG A 76 -9.511 -16.493 -23.433 1.00 14.31 C ATOM 1181 O ARG A 76 -9.784 -15.421 -22.894 1.00 31.21 O ATOM 1182 CB ARG A 76 -11.277 -17.921 -24.481 1.00 1.21 C ATOM 1183 CG ARG A 76 -12.654 -17.460 -24.929 1.00 5.44 C ATOM 1184 CD ARG A 76 -13.635 -18.619 -25.000 1.00 5.14 C ATOM 1185 NE ARG A 76 -13.787 -19.286 -23.709 1.00 3.20 N ATOM 1186 CZ ARG A 76 -14.511 -18.795 -22.709 1.00 53.14 C ATOM 1187 NH1 ARG A 76 -15.145 -17.640 -22.850 1.00 43.42 N ATOM 1188 NH2 ARG A 76 -14.601 -19.462 -21.565 1.00 32.14 N ATOM 0 H ARG A 76 -9.387 -18.395 -25.991 1.00 23.54 H new ATOM 0 HA ARG A 76 -10.609 -16.012 -25.205 1.00 1.35 H new ATOM 0 HB2 ARG A 76 -11.031 -18.852 -24.992 1.00 1.21 H new ATOM 0 HB3 ARG A 76 -11.306 -18.141 -23.414 1.00 1.21 H new ATOM 0 HG2 ARG A 76 -13.029 -16.706 -24.237 1.00 5.44 H new ATOM 0 HG3 ARG A 76 -12.579 -16.985 -25.907 1.00 5.44 H new ATOM 0 HD2 ARG A 76 -14.605 -18.253 -25.336 1.00 5.14 H new ATOM 0 HD3 ARG A 76 -13.292 -19.340 -25.742 1.00 5.14 H new ATOM 0 HE ARG A 76 -13.311 -20.177 -23.568 1.00 3.20 H new ATOM 0 HH11 ARG A 76 -15.078 -17.125 -23.728 1.00 43.42 H new ATOM 0 HH12 ARG A 76 -15.700 -17.266 -22.080 1.00 43.42 H new ATOM 0 HH21 ARG A 76 -14.114 -20.351 -21.454 1.00 32.14 H new ATOM 0 HH22 ARG A 76 -15.157 -19.085 -20.797 1.00 32.14 H new ATOM 1202 N SER A 77 -8.641 -17.359 -22.922 1.00 3.23 N ATOM 1203 CA SER A 77 -7.945 -17.093 -21.669 1.00 45.52 C ATOM 1204 C SER A 77 -7.140 -15.800 -21.757 1.00 13.35 C ATOM 1205 O SER A 77 -7.216 -14.945 -20.874 1.00 24.11 O ATOM 1206 CB SER A 77 -7.020 -18.259 -21.317 1.00 41.02 C ATOM 1207 OG SER A 77 -7.754 -19.353 -20.793 1.00 63.20 O ATOM 0 H SER A 77 -8.402 -18.250 -23.357 1.00 3.23 H new ATOM 0 HA SER A 77 -8.693 -16.982 -20.884 1.00 45.52 H new ATOM 0 HB2 SER A 77 -6.475 -18.576 -22.206 1.00 41.02 H new ATOM 0 HB3 SER A 77 -6.279 -17.932 -20.588 1.00 41.02 H new ATOM 0 HG SER A 77 -8.103 -19.896 -21.530 1.00 63.20 H new ATOM 1213 N LEU A 78 -6.368 -15.664 -22.830 1.00 23.12 N ATOM 1214 CA LEU A 78 -5.547 -14.475 -23.036 1.00 21.31 C ATOM 1215 C LEU A 78 -6.406 -13.214 -23.041 1.00 62.44 C ATOM 1216 O LEU A 78 -6.185 -12.298 -22.251 1.00 4.43 O ATOM 1217 CB LEU A 78 -4.777 -14.585 -24.354 1.00 45.13 C ATOM 1218 CG LEU A 78 -3.293 -14.934 -24.235 1.00 74.41 C ATOM 1219 CD1 LEU A 78 -2.569 -13.908 -23.378 1.00 24.14 C ATOM 1220 CD2 LEU A 78 -3.118 -16.332 -23.659 1.00 43.43 C ATOM 0 H LEU A 78 -6.293 -16.362 -23.570 1.00 23.12 H new ATOM 0 HA LEU A 78 -4.837 -14.407 -22.211 1.00 21.31 H new ATOM 0 HB2 LEU A 78 -5.260 -15.342 -24.972 1.00 45.13 H new ATOM 0 HB3 LEU A 78 -4.866 -13.637 -24.884 1.00 45.13 H new ATOM 0 HG LEU A 78 -2.855 -14.916 -25.233 1.00 74.41 H new ATOM 0 HD11 LEU A 78 -1.514 -14.174 -23.305 1.00 24.14 H new ATOM 0 HD12 LEU A 78 -2.664 -12.922 -23.833 1.00 24.14 H new ATOM 0 HD13 LEU A 78 -3.009 -13.892 -22.381 1.00 24.14 H new ATOM 0 HD21 LEU A 78 -2.056 -16.563 -23.582 1.00 43.43 H new ATOM 0 HD22 LEU A 78 -3.572 -16.377 -22.669 1.00 43.43 H new ATOM 0 HD23 LEU A 78 -3.601 -17.058 -24.313 1.00 43.43 H new ATOM 1232 N TYR A 79 -7.388 -13.177 -23.935 1.00 72.14 N ATOM 1233 CA TYR A 79 -8.281 -12.030 -24.042 1.00 51.21 C ATOM 1234 C TYR A 79 -8.880 -11.677 -22.685 1.00 3.13 C ATOM 1235 O TYR A 79 -9.181 -10.516 -22.410 1.00 23.35 O ATOM 1236 CB TYR A 79 -9.399 -12.319 -25.046 1.00 11.45 C ATOM 1237 CG TYR A 79 -9.864 -11.095 -25.803 1.00 4.40 C ATOM 1238 CD1 TYR A 79 -8.993 -10.388 -26.623 1.00 22.34 C ATOM 1239 CD2 TYR A 79 -11.174 -10.644 -25.696 1.00 43.42 C ATOM 1240 CE1 TYR A 79 -9.414 -9.268 -27.314 1.00 75.24 C ATOM 1241 CE2 TYR A 79 -11.604 -9.527 -26.385 1.00 74.20 C ATOM 1242 CZ TYR A 79 -10.721 -8.843 -27.194 1.00 3.40 C ATOM 1243 OH TYR A 79 -11.145 -7.729 -27.881 1.00 1.43 O ATOM 0 H TYR A 79 -7.585 -13.928 -24.596 1.00 72.14 H new ATOM 0 HA TYR A 79 -7.697 -11.179 -24.393 1.00 51.21 H new ATOM 0 HB2 TYR A 79 -9.051 -13.067 -25.759 1.00 11.45 H new ATOM 0 HB3 TYR A 79 -10.248 -12.753 -24.517 1.00 11.45 H new ATOM 0 HD1 TYR A 79 -7.970 -10.719 -26.722 1.00 22.34 H new ATOM 0 HD2 TYR A 79 -11.868 -11.176 -25.063 1.00 43.42 H new ATOM 0 HE1 TYR A 79 -8.723 -8.728 -27.945 1.00 75.24 H new ATOM 0 HE2 TYR A 79 -12.626 -9.191 -26.291 1.00 74.20 H new ATOM 0 HH TYR A 79 -12.092 -7.566 -27.688 1.00 1.43 H new ATOM 1253 N ASN A 80 -9.050 -12.687 -21.839 1.00 43.23 N ATOM 1254 CA ASN A 80 -9.613 -12.486 -20.509 1.00 13.23 C ATOM 1255 C ASN A 80 -8.648 -11.705 -19.622 1.00 53.53 C ATOM 1256 O ASN A 80 -8.990 -10.647 -19.093 1.00 10.11 O ATOM 1257 CB ASN A 80 -9.943 -13.832 -19.862 1.00 42.41 C ATOM 1258 CG ASN A 80 -11.433 -14.110 -19.833 1.00 40.04 C ATOM 1259 OD1 ASN A 80 -12.000 -14.403 -18.780 1.00 62.12 O ATOM 1260 ND2 ASN A 80 -12.074 -14.021 -20.992 1.00 32.42 N ATOM 0 H ASN A 80 -8.806 -13.654 -22.051 1.00 43.23 H new ATOM 0 HA ASN A 80 -10.531 -11.908 -20.614 1.00 13.23 H new ATOM 0 HB2 ASN A 80 -9.438 -14.628 -20.409 1.00 42.41 H new ATOM 0 HB3 ASN A 80 -9.553 -13.848 -18.844 1.00 42.41 H new ATOM 0 HD21 ASN A 80 -13.078 -14.199 -21.035 1.00 32.42 H new ATOM 0 HD22 ASN A 80 -11.563 -13.775 -21.840 1.00 32.42 H new ATOM 1267 N THR A 81 -7.437 -12.234 -19.465 1.00 62.40 N ATOM 1268 CA THR A 81 -6.422 -11.588 -18.643 1.00 4.00 C ATOM 1269 C THR A 81 -6.037 -10.229 -19.212 1.00 33.13 C ATOM 1270 O THR A 81 -6.096 -9.214 -18.516 1.00 1.23 O ATOM 1271 CB THR A 81 -5.158 -12.460 -18.524 1.00 43.45 C ATOM 1272 OG1 THR A 81 -5.503 -13.760 -18.033 1.00 20.04 O ATOM 1273 CG2 THR A 81 -4.142 -11.815 -17.594 1.00 50.31 C ATOM 0 H THR A 81 -7.137 -13.108 -19.897 1.00 62.40 H new ATOM 0 HA THR A 81 -6.856 -11.453 -17.652 1.00 4.00 H new ATOM 0 HB THR A 81 -4.713 -12.553 -19.515 1.00 43.45 H new ATOM 0 HG1 THR A 81 -4.694 -14.308 -17.962 1.00 20.04 H new ATOM 0 HG21 THR A 81 -3.258 -12.449 -17.525 1.00 50.31 H new ATOM 0 HG22 THR A 81 -3.859 -10.838 -17.986 1.00 50.31 H new ATOM 0 HG23 THR A 81 -4.580 -11.695 -16.603 1.00 50.31 H new ATOM 1281 N ILE A 82 -5.643 -10.214 -20.481 1.00 1.21 N ATOM 1282 CA ILE A 82 -5.249 -8.977 -21.145 1.00 5.34 C ATOM 1283 C ILE A 82 -6.323 -7.905 -20.990 1.00 13.30 C ATOM 1284 O ILE A 82 -6.023 -6.712 -20.958 1.00 30.11 O ATOM 1285 CB ILE A 82 -4.978 -9.203 -22.643 1.00 13.11 C ATOM 1286 CG1 ILE A 82 -3.880 -10.252 -22.832 1.00 45.15 C ATOM 1287 CG2 ILE A 82 -4.588 -7.894 -23.315 1.00 64.14 C ATOM 1288 CD1 ILE A 82 -3.845 -10.847 -24.222 1.00 32.31 C ATOM 0 H ILE A 82 -5.588 -11.045 -21.070 1.00 1.21 H new ATOM 0 HA ILE A 82 -4.330 -8.640 -20.666 1.00 5.34 H new ATOM 0 HB ILE A 82 -5.891 -9.571 -23.111 1.00 13.11 H new ATOM 0 HG12 ILE A 82 -2.913 -9.797 -22.616 1.00 45.15 H new ATOM 0 HG13 ILE A 82 -4.025 -11.053 -22.107 1.00 45.15 H new ATOM 0 HG21 ILE A 82 -4.400 -8.071 -24.374 1.00 64.14 H new ATOM 0 HG22 ILE A 82 -5.399 -7.173 -23.206 1.00 64.14 H new ATOM 0 HG23 ILE A 82 -3.686 -7.499 -22.847 1.00 64.14 H new ATOM 0 HD11 ILE A 82 -3.043 -11.582 -24.283 1.00 32.31 H new ATOM 0 HD12 ILE A 82 -4.798 -11.331 -24.435 1.00 32.31 H new ATOM 0 HD13 ILE A 82 -3.669 -10.057 -24.952 1.00 32.31 H new ATOM 1300 N ALA A 83 -7.575 -8.339 -20.892 1.00 14.10 N ATOM 1301 CA ALA A 83 -8.693 -7.417 -20.736 1.00 74.13 C ATOM 1302 C ALA A 83 -8.677 -6.761 -19.360 1.00 43.34 C ATOM 1303 O ALA A 83 -8.504 -5.549 -19.241 1.00 4.41 O ATOM 1304 CB ALA A 83 -10.011 -8.143 -20.962 1.00 72.50 C ATOM 0 H ALA A 83 -7.841 -9.323 -20.918 1.00 14.10 H new ATOM 0 HA ALA A 83 -8.590 -6.631 -21.484 1.00 74.13 H new ATOM 0 HB1 ALA A 83 -10.837 -7.442 -20.842 1.00 72.50 H new ATOM 0 HB2 ALA A 83 -10.030 -8.558 -21.970 1.00 72.50 H new ATOM 0 HB3 ALA A 83 -10.111 -8.950 -20.236 1.00 72.50 H new ATOM 1310 N VAL A 84 -8.860 -7.571 -18.321 1.00 74.32 N ATOM 1311 CA VAL A 84 -8.866 -7.070 -16.953 1.00 43.22 C ATOM 1312 C VAL A 84 -7.627 -6.228 -16.670 1.00 75.24 C ATOM 1313 O VAL A 84 -7.695 -5.217 -15.970 1.00 72.42 O ATOM 1314 CB VAL A 84 -8.934 -8.223 -15.934 1.00 24.23 C ATOM 1315 CG1 VAL A 84 -8.929 -7.680 -14.513 1.00 11.42 C ATOM 1316 CG2 VAL A 84 -10.168 -9.079 -16.181 1.00 50.44 C ATOM 0 H VAL A 84 -9.006 -8.577 -18.402 1.00 74.32 H new ATOM 0 HA VAL A 84 -9.755 -6.448 -16.847 1.00 43.22 H new ATOM 0 HB VAL A 84 -8.052 -8.851 -16.061 1.00 24.23 H new ATOM 0 HG11 VAL A 84 -8.978 -8.509 -13.807 1.00 11.42 H new ATOM 0 HG12 VAL A 84 -8.014 -7.112 -14.344 1.00 11.42 H new ATOM 0 HG13 VAL A 84 -9.792 -7.030 -14.369 1.00 11.42 H new ATOM 0 HG21 VAL A 84 -10.201 -9.889 -15.452 1.00 50.44 H new ATOM 0 HG22 VAL A 84 -11.063 -8.465 -16.081 1.00 50.44 H new ATOM 0 HG23 VAL A 84 -10.125 -9.497 -17.187 1.00 50.44 H new ATOM 1326 N LEU A 85 -6.494 -6.652 -17.219 1.00 54.44 N ATOM 1327 CA LEU A 85 -5.236 -5.937 -17.026 1.00 70.55 C ATOM 1328 C LEU A 85 -5.243 -4.611 -17.781 1.00 40.23 C ATOM 1329 O LEU A 85 -4.949 -3.560 -17.212 1.00 50.21 O ATOM 1330 CB LEU A 85 -4.061 -6.798 -17.494 1.00 0.00 C ATOM 1331 CG LEU A 85 -2.734 -6.573 -16.769 1.00 65.11 C ATOM 1332 CD1 LEU A 85 -2.359 -7.798 -15.950 1.00 51.32 C ATOM 1333 CD2 LEU A 85 -1.633 -6.236 -17.764 1.00 23.10 C ATOM 0 H LEU A 85 -6.420 -7.486 -17.801 1.00 54.44 H new ATOM 0 HA LEU A 85 -5.124 -5.728 -15.962 1.00 70.55 H new ATOM 0 HB2 LEU A 85 -4.339 -7.846 -17.385 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.906 -6.618 -18.558 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.852 -5.729 -16.089 1.00 65.11 H new ATOM 0 HD11 LEU A 85 -1.412 -7.619 -15.441 1.00 51.32 H new ATOM 0 HD12 LEU A 85 -3.136 -7.994 -15.212 1.00 51.32 H new ATOM 0 HD13 LEU A 85 -2.260 -8.660 -16.610 1.00 51.32 H new ATOM 0 HD21 LEU A 85 -0.696 -6.079 -17.230 1.00 23.10 H new ATOM 0 HD22 LEU A 85 -1.516 -7.059 -18.469 1.00 23.10 H new ATOM 0 HD23 LEU A 85 -1.898 -5.328 -18.306 1.00 23.10 H new ATOM 1345 N TYR A 86 -5.582 -4.669 -19.064 1.00 45.23 N ATOM 1346 CA TYR A 86 -5.627 -3.473 -19.897 1.00 51.43 C ATOM 1347 C TYR A 86 -6.513 -2.403 -19.267 1.00 3.32 C ATOM 1348 O TYR A 86 -6.121 -1.240 -19.160 1.00 1.13 O ATOM 1349 CB TYR A 86 -6.142 -3.819 -21.296 1.00 5.43 C ATOM 1350 CG TYR A 86 -6.410 -2.606 -22.158 1.00 22.43 C ATOM 1351 CD1 TYR A 86 -5.368 -1.903 -22.746 1.00 12.44 C ATOM 1352 CD2 TYR A 86 -7.708 -2.165 -22.386 1.00 45.11 C ATOM 1353 CE1 TYR A 86 -5.609 -0.794 -23.535 1.00 51.30 C ATOM 1354 CE2 TYR A 86 -7.959 -1.059 -23.173 1.00 75.24 C ATOM 1355 CZ TYR A 86 -6.905 -0.376 -23.746 1.00 30.41 C ATOM 1356 OH TYR A 86 -7.151 0.726 -24.532 1.00 13.31 O ATOM 0 H TYR A 86 -5.830 -5.531 -19.550 1.00 45.23 H new ATOM 0 HA TYR A 86 -4.614 -3.079 -19.977 1.00 51.43 H new ATOM 0 HB2 TYR A 86 -5.412 -4.456 -21.796 1.00 5.43 H new ATOM 0 HB3 TYR A 86 -7.060 -4.399 -21.203 1.00 5.43 H new ATOM 0 HD1 TYR A 86 -4.351 -2.228 -22.584 1.00 12.44 H new ATOM 0 HD2 TYR A 86 -8.535 -2.697 -21.940 1.00 45.11 H new ATOM 0 HE1 TYR A 86 -4.786 -0.258 -23.984 1.00 51.30 H new ATOM 0 HE2 TYR A 86 -8.974 -0.730 -23.339 1.00 75.24 H new ATOM 0 HH TYR A 86 -8.117 0.885 -24.579 1.00 13.31 H new ATOM 1366 N CYS A 87 -7.708 -2.805 -18.849 1.00 33.13 N ATOM 1367 CA CYS A 87 -8.651 -1.881 -18.228 1.00 62.43 C ATOM 1368 C CYS A 87 -7.994 -1.120 -17.082 1.00 40.13 C ATOM 1369 O CYS A 87 -8.212 0.079 -16.912 1.00 15.11 O ATOM 1370 CB CYS A 87 -9.877 -2.640 -17.717 1.00 21.43 C ATOM 1371 SG CYS A 87 -11.198 -2.819 -18.938 1.00 75.43 S ATOM 0 H CYS A 87 -8.047 -3.764 -18.929 1.00 33.13 H new ATOM 0 HA CYS A 87 -8.966 -1.160 -18.983 1.00 62.43 H new ATOM 0 HB2 CYS A 87 -9.566 -3.631 -17.387 1.00 21.43 H new ATOM 0 HB3 CYS A 87 -10.273 -2.123 -16.843 1.00 21.43 H new ATOM 0 HG CYS A 87 -11.019 -3.916 -19.613 1.00 75.43 H new ATOM 1377 N VAL A 88 -7.188 -1.828 -16.295 1.00 22.33 N ATOM 1378 CA VAL A 88 -6.498 -1.219 -15.163 1.00 63.42 C ATOM 1379 C VAL A 88 -5.621 -0.057 -15.615 1.00 64.54 C ATOM 1380 O VAL A 88 -5.568 0.985 -14.960 1.00 35.21 O ATOM 1381 CB VAL A 88 -5.627 -2.248 -14.419 1.00 12.33 C ATOM 1382 CG1 VAL A 88 -4.972 -1.612 -13.202 1.00 12.21 C ATOM 1383 CG2 VAL A 88 -6.456 -3.458 -14.017 1.00 71.41 C ATOM 0 H VAL A 88 -6.997 -2.822 -16.421 1.00 22.33 H new ATOM 0 HA VAL A 88 -7.266 -0.847 -14.485 1.00 63.42 H new ATOM 0 HB VAL A 88 -4.839 -2.585 -15.092 1.00 12.33 H new ATOM 0 HG11 VAL A 88 -4.360 -2.354 -12.689 1.00 12.21 H new ATOM 0 HG12 VAL A 88 -4.343 -0.781 -13.520 1.00 12.21 H new ATOM 0 HG13 VAL A 88 -5.743 -1.245 -12.524 1.00 12.21 H new ATOM 0 HG21 VAL A 88 -5.824 -4.174 -13.492 1.00 71.41 H new ATOM 0 HG22 VAL A 88 -7.267 -3.142 -13.361 1.00 71.41 H new ATOM 0 HG23 VAL A 88 -6.872 -3.926 -14.909 1.00 71.41 H new ATOM 1393 N HIS A 89 -4.933 -0.243 -16.737 1.00 22.33 N ATOM 1394 CA HIS A 89 -4.058 0.791 -17.278 1.00 34.14 C ATOM 1395 C HIS A 89 -4.872 1.903 -17.932 1.00 34.12 C ATOM 1396 O HIS A 89 -4.325 2.997 -18.071 1.00 34.00 O ATOM 1397 CB HIS A 89 -3.088 0.188 -18.295 1.00 65.45 C ATOM 1398 CG HIS A 89 -2.234 -0.906 -17.731 1.00 11.13 C ATOM 1399 ND1 HIS A 89 -1.931 -1.009 -16.390 1.00 44.14 N ATOM 1400 CD2 HIS A 89 -1.617 -1.948 -18.335 1.00 35.22 C ATOM 1401 CE1 HIS A 89 -1.165 -2.068 -16.194 1.00 31.32 C ATOM 1402 NE2 HIS A 89 -0.960 -2.655 -17.359 1.00 34.44 N ATOM 0 H HIS A 89 -4.964 -1.100 -17.289 1.00 22.33 H new ATOM 0 HA HIS A 89 -3.488 1.218 -16.453 1.00 34.14 H new ATOM 0 HB2 HIS A 89 -3.656 -0.204 -19.139 1.00 65.45 H new ATOM 0 HB3 HIS A 89 -2.444 0.977 -18.683 1.00 65.45 H new ATOM 0 HD1 HIS A 89 -2.248 -0.368 -15.663 1.00 44.14 H new ATOM 0 HD2 HIS A 89 -1.638 -2.180 -19.390 1.00 35.22 H new ATOM 0 HE1 HIS A 89 -0.773 -2.397 -15.243 1.00 31.32 H new ATOM 1411 N GLN A 90 -6.120 1.663 -18.324 1.00 52.42 N ATOM 1412 CA GLN A 90 -6.935 2.694 -18.955 1.00 51.44 C ATOM 1413 C GLN A 90 -7.825 3.388 -17.929 1.00 71.14 C ATOM 1414 O GLN A 90 -8.884 3.914 -18.268 1.00 43.21 O ATOM 1415 CB GLN A 90 -7.793 2.087 -20.065 1.00 52.04 C ATOM 1416 CG GLN A 90 -7.052 1.914 -21.382 1.00 44.21 C ATOM 1417 CD GLN A 90 -6.426 3.204 -21.874 1.00 45.21 C ATOM 1418 OE1 GLN A 90 -7.085 4.243 -21.936 1.00 75.41 O ATOM 1419 NE2 GLN A 90 -5.146 3.146 -22.224 1.00 25.52 N ATOM 0 H GLN A 90 -6.588 0.763 -18.215 1.00 52.42 H new ATOM 0 HA GLN A 90 -6.265 3.436 -19.389 1.00 51.44 H new ATOM 0 HB2 GLN A 90 -8.164 1.116 -19.736 1.00 52.04 H new ATOM 0 HB3 GLN A 90 -8.664 2.722 -20.228 1.00 52.04 H new ATOM 0 HG2 GLN A 90 -6.274 1.160 -21.260 1.00 44.21 H new ATOM 0 HG3 GLN A 90 -7.743 1.539 -22.137 1.00 44.21 H new ATOM 0 HE21 GLN A 90 -4.638 2.264 -22.157 1.00 25.52 H new ATOM 0 HE22 GLN A 90 -4.671 3.984 -22.560 1.00 25.52 H new ATOM 1428 N ARG A 91 -7.387 3.383 -16.674 1.00 54.30 N ATOM 1429 CA ARG A 91 -8.145 4.009 -15.598 1.00 32.24 C ATOM 1430 C ARG A 91 -9.555 3.432 -15.519 1.00 1.23 C ATOM 1431 O ARG A 91 -10.488 4.106 -15.082 1.00 23.32 O ATOM 1432 CB ARG A 91 -8.214 5.524 -15.808 1.00 75.34 C ATOM 1433 CG ARG A 91 -7.963 6.326 -14.543 1.00 10.12 C ATOM 1434 CD ARG A 91 -7.416 7.710 -14.860 1.00 22.10 C ATOM 1435 NE ARG A 91 -8.344 8.493 -15.670 1.00 22.32 N ATOM 1436 CZ ARG A 91 -7.992 9.580 -16.347 1.00 12.20 C ATOM 1437 NH1 ARG A 91 -6.737 10.010 -16.311 1.00 23.42 N ATOM 1438 NH2 ARG A 91 -8.894 10.240 -17.062 1.00 42.23 N ATOM 0 H ARG A 91 -6.511 2.952 -16.378 1.00 54.30 H new ATOM 0 HA ARG A 91 -7.633 3.802 -14.659 1.00 32.24 H new ATOM 0 HB2 ARG A 91 -7.481 5.812 -16.562 1.00 75.34 H new ATOM 0 HB3 ARG A 91 -9.196 5.783 -16.203 1.00 75.34 H new ATOM 0 HG2 ARG A 91 -8.892 6.421 -13.981 1.00 10.12 H new ATOM 0 HG3 ARG A 91 -7.258 5.792 -13.906 1.00 10.12 H new ATOM 0 HD2 ARG A 91 -7.210 8.240 -13.930 1.00 22.10 H new ATOM 0 HD3 ARG A 91 -6.467 7.613 -15.388 1.00 22.10 H new ATOM 0 HE ARG A 91 -9.316 8.189 -15.719 1.00 22.32 H new ATOM 0 HH11 ARG A 91 -6.041 9.505 -15.763 1.00 23.42 H new ATOM 0 HH12 ARG A 91 -6.469 10.845 -16.832 1.00 23.42 H new ATOM 0 HH21 ARG A 91 -9.860 9.913 -17.092 1.00 42.23 H new ATOM 0 HH22 ARG A 91 -8.622 11.075 -17.581 1.00 42.23 H new ATOM 1452 N ILE A 92 -9.702 2.182 -15.944 1.00 2.24 N ATOM 1453 CA ILE A 92 -10.998 1.514 -15.919 1.00 55.22 C ATOM 1454 C ILE A 92 -11.135 0.626 -14.688 1.00 30.10 C ATOM 1455 O ILE A 92 -10.288 -0.228 -14.428 1.00 3.22 O ATOM 1456 CB ILE A 92 -11.213 0.659 -17.183 1.00 45.21 C ATOM 1457 CG1 ILE A 92 -11.011 1.507 -18.440 1.00 63.12 C ATOM 1458 CG2 ILE A 92 -12.603 0.041 -17.172 1.00 44.52 C ATOM 1459 CD1 ILE A 92 -11.188 0.731 -19.726 1.00 12.33 C ATOM 0 H ILE A 92 -8.940 1.611 -16.310 1.00 2.24 H new ATOM 0 HA ILE A 92 -11.757 2.296 -15.885 1.00 55.22 H new ATOM 0 HB ILE A 92 -10.478 -0.146 -17.190 1.00 45.21 H new ATOM 0 HG12 ILE A 92 -11.717 2.337 -18.426 1.00 63.12 H new ATOM 0 HG13 ILE A 92 -10.010 1.939 -18.420 1.00 63.12 H new ATOM 0 HG21 ILE A 92 -12.741 -0.560 -18.071 1.00 44.52 H new ATOM 0 HG22 ILE A 92 -12.713 -0.592 -16.292 1.00 44.52 H new ATOM 0 HG23 ILE A 92 -13.353 0.832 -17.146 1.00 44.52 H new ATOM 0 HD11 ILE A 92 -11.030 1.395 -20.576 1.00 12.33 H new ATOM 0 HD12 ILE A 92 -10.464 -0.083 -19.762 1.00 12.33 H new ATOM 0 HD13 ILE A 92 -12.197 0.321 -19.768 1.00 12.33 H new ATOM 1471 N ASP A 93 -12.209 0.832 -13.934 1.00 22.32 N ATOM 1472 CA ASP A 93 -12.461 0.048 -12.731 1.00 12.03 C ATOM 1473 C ASP A 93 -13.607 -0.935 -12.953 1.00 43.54 C ATOM 1474 O ASP A 93 -14.769 -0.540 -13.046 1.00 10.50 O ATOM 1475 CB ASP A 93 -12.785 0.970 -11.554 1.00 34.21 C ATOM 1476 CG ASP A 93 -12.223 0.455 -10.244 1.00 42.30 C ATOM 1477 OD1 ASP A 93 -12.333 -0.763 -9.989 1.00 1.05 O ATOM 1478 OD2 ASP A 93 -11.674 1.269 -9.472 1.00 41.01 O ATOM 0 H ASP A 93 -12.919 1.536 -14.135 1.00 22.32 H new ATOM 0 HA ASP A 93 -11.559 -0.519 -12.501 1.00 12.03 H new ATOM 0 HB2 ASP A 93 -12.383 1.963 -11.753 1.00 34.21 H new ATOM 0 HB3 ASP A 93 -13.866 1.076 -11.466 1.00 34.21 H new ATOM 1483 N VAL A 94 -13.269 -2.218 -13.036 1.00 61.42 N ATOM 1484 CA VAL A 94 -14.269 -3.259 -13.247 1.00 45.00 C ATOM 1485 C VAL A 94 -14.347 -4.197 -12.048 1.00 42.24 C ATOM 1486 O VAL A 94 -13.602 -4.048 -11.079 1.00 40.52 O ATOM 1487 CB VAL A 94 -13.964 -4.083 -14.511 1.00 40.34 C ATOM 1488 CG1 VAL A 94 -14.082 -3.216 -15.755 1.00 74.04 C ATOM 1489 CG2 VAL A 94 -12.581 -4.710 -14.417 1.00 40.23 C ATOM 0 H VAL A 94 -12.312 -2.561 -12.960 1.00 61.42 H new ATOM 0 HA VAL A 94 -15.228 -2.756 -13.374 1.00 45.00 H new ATOM 0 HB VAL A 94 -14.697 -4.886 -14.586 1.00 40.34 H new ATOM 0 HG11 VAL A 94 -13.863 -3.816 -16.639 1.00 74.04 H new ATOM 0 HG12 VAL A 94 -15.095 -2.820 -15.827 1.00 74.04 H new ATOM 0 HG13 VAL A 94 -13.373 -2.391 -15.692 1.00 74.04 H new ATOM 0 HG21 VAL A 94 -12.382 -5.289 -15.319 1.00 40.23 H new ATOM 0 HG22 VAL A 94 -11.832 -3.925 -14.317 1.00 40.23 H new ATOM 0 HG23 VAL A 94 -12.537 -5.366 -13.548 1.00 40.23 H new ATOM 1499 N LYS A 95 -15.253 -5.166 -12.119 1.00 73.15 N ATOM 1500 CA LYS A 95 -15.428 -6.133 -11.041 1.00 33.15 C ATOM 1501 C LYS A 95 -15.085 -7.542 -11.513 1.00 31.32 C ATOM 1502 O LYS A 95 -14.625 -8.374 -10.730 1.00 22.12 O ATOM 1503 CB LYS A 95 -16.867 -6.093 -10.522 1.00 10.41 C ATOM 1504 CG LYS A 95 -16.986 -5.584 -9.096 1.00 14.24 C ATOM 1505 CD LYS A 95 -17.382 -4.117 -9.060 1.00 22.35 C ATOM 1506 CE LYS A 95 -16.952 -3.456 -7.759 1.00 12.10 C ATOM 1507 NZ LYS A 95 -17.960 -2.472 -7.277 1.00 2.01 N ATOM 0 H LYS A 95 -15.879 -5.303 -12.913 1.00 73.15 H new ATOM 0 HA LYS A 95 -14.749 -5.865 -10.232 1.00 33.15 H new ATOM 0 HB2 LYS A 95 -17.463 -5.457 -11.177 1.00 10.41 H new ATOM 0 HB3 LYS A 95 -17.292 -7.095 -10.578 1.00 10.41 H new ATOM 0 HG2 LYS A 95 -17.727 -6.175 -8.558 1.00 14.24 H new ATOM 0 HG3 LYS A 95 -16.035 -5.718 -8.580 1.00 14.24 H new ATOM 0 HD2 LYS A 95 -16.927 -3.595 -9.902 1.00 22.35 H new ATOM 0 HD3 LYS A 95 -18.462 -4.028 -9.175 1.00 22.35 H new ATOM 0 HE2 LYS A 95 -16.797 -4.220 -6.997 1.00 12.10 H new ATOM 0 HE3 LYS A 95 -15.996 -2.954 -7.906 1.00 12.10 H new ATOM 0 HZ1 LYS A 95 -17.630 -2.044 -6.389 1.00 2.01 H new ATOM 0 HZ2 LYS A 95 -18.089 -1.729 -7.993 1.00 2.01 H new ATOM 0 HZ3 LYS A 95 -18.866 -2.955 -7.113 1.00 2.01 H new ATOM 1521 N ASP A 96 -15.309 -7.802 -12.796 1.00 62.12 N ATOM 1522 CA ASP A 96 -15.021 -9.111 -13.372 1.00 31.25 C ATOM 1523 C ASP A 96 -14.389 -8.969 -14.753 1.00 74.41 C ATOM 1524 O ASP A 96 -14.159 -7.859 -15.232 1.00 12.34 O ATOM 1525 CB ASP A 96 -16.301 -9.943 -13.466 1.00 31.00 C ATOM 1526 CG ASP A 96 -17.503 -9.112 -13.867 1.00 61.51 C ATOM 1527 OD1 ASP A 96 -17.639 -8.806 -15.071 1.00 41.21 O ATOM 1528 OD2 ASP A 96 -18.310 -8.769 -12.979 1.00 5.10 O ATOM 0 H ASP A 96 -15.689 -7.124 -13.457 1.00 62.12 H new ATOM 0 HA ASP A 96 -14.313 -9.621 -12.719 1.00 31.25 H new ATOM 0 HB2 ASP A 96 -16.158 -10.744 -14.192 1.00 31.00 H new ATOM 0 HB3 ASP A 96 -16.495 -10.416 -12.503 1.00 31.00 H new ATOM 1533 N THR A 97 -14.109 -10.103 -15.390 1.00 42.11 N ATOM 1534 CA THR A 97 -13.502 -10.106 -16.714 1.00 34.41 C ATOM 1535 C THR A 97 -14.518 -9.727 -17.786 1.00 3.11 C ATOM 1536 O THR A 97 -14.159 -9.198 -18.838 1.00 75.14 O ATOM 1537 CB THR A 97 -12.902 -11.483 -17.054 1.00 35.50 C ATOM 1538 OG1 THR A 97 -11.955 -11.866 -16.052 1.00 22.02 O ATOM 1539 CG2 THR A 97 -12.224 -11.457 -18.417 1.00 4.32 C ATOM 0 H THR A 97 -14.294 -11.031 -15.009 1.00 42.11 H new ATOM 0 HA THR A 97 -12.703 -9.365 -16.697 1.00 34.41 H new ATOM 0 HB THR A 97 -13.713 -12.211 -17.083 1.00 35.50 H new ATOM 0 HG1 THR A 97 -12.013 -12.832 -15.900 1.00 22.02 H new ATOM 0 HG21 THR A 97 -11.808 -12.441 -18.635 1.00 4.32 H new ATOM 0 HG22 THR A 97 -12.955 -11.194 -19.182 1.00 4.32 H new ATOM 0 HG23 THR A 97 -11.423 -10.717 -18.411 1.00 4.32 H new ATOM 1547 N LYS A 98 -15.789 -10.001 -17.512 1.00 54.22 N ATOM 1548 CA LYS A 98 -16.859 -9.688 -18.452 1.00 4.25 C ATOM 1549 C LYS A 98 -17.016 -8.180 -18.615 1.00 15.43 C ATOM 1550 O LYS A 98 -16.971 -7.659 -19.729 1.00 55.52 O ATOM 1551 CB LYS A 98 -18.178 -10.299 -17.977 1.00 44.04 C ATOM 1552 CG LYS A 98 -18.687 -11.419 -18.869 1.00 51.24 C ATOM 1553 CD LYS A 98 -20.123 -11.177 -19.303 1.00 52.33 C ATOM 1554 CE LYS A 98 -20.199 -10.168 -20.438 1.00 71.32 C ATOM 1555 NZ LYS A 98 -21.606 -9.888 -20.838 1.00 1.52 N ATOM 0 H LYS A 98 -16.103 -10.439 -16.646 1.00 54.22 H new ATOM 0 HA LYS A 98 -16.595 -10.115 -19.419 1.00 4.25 H new ATOM 0 HB2 LYS A 98 -18.047 -10.683 -16.965 1.00 44.04 H new ATOM 0 HB3 LYS A 98 -18.934 -9.515 -17.925 1.00 44.04 H new ATOM 0 HG2 LYS A 98 -18.049 -11.503 -19.749 1.00 51.24 H new ATOM 0 HG3 LYS A 98 -18.622 -12.368 -18.336 1.00 51.24 H new ATOM 0 HD2 LYS A 98 -20.572 -12.118 -19.621 1.00 52.33 H new ATOM 0 HD3 LYS A 98 -20.705 -10.817 -18.455 1.00 52.33 H new ATOM 0 HE2 LYS A 98 -19.717 -9.240 -20.131 1.00 71.32 H new ATOM 0 HE3 LYS A 98 -19.645 -10.546 -21.298 1.00 71.32 H new ATOM 0 HZ1 LYS A 98 -21.615 -9.196 -21.614 1.00 1.52 H new ATOM 0 HZ2 LYS A 98 -22.059 -10.769 -21.155 1.00 1.52 H new ATOM 0 HZ3 LYS A 98 -22.128 -9.503 -20.025 1.00 1.52 H new ATOM 1569 N GLU A 99 -17.199 -7.484 -17.498 1.00 0.34 N ATOM 1570 CA GLU A 99 -17.361 -6.034 -17.518 1.00 73.14 C ATOM 1571 C GLU A 99 -16.168 -5.363 -18.192 1.00 54.14 C ATOM 1572 O GLU A 99 -16.325 -4.398 -18.939 1.00 30.23 O ATOM 1573 CB GLU A 99 -17.526 -5.497 -16.096 1.00 23.30 C ATOM 1574 CG GLU A 99 -18.866 -5.840 -15.467 1.00 60.30 C ATOM 1575 CD GLU A 99 -19.795 -4.644 -15.381 1.00 54.33 C ATOM 1576 OE1 GLU A 99 -19.401 -3.632 -14.764 1.00 61.22 O ATOM 1577 OE2 GLU A 99 -20.913 -4.719 -15.931 1.00 72.34 O ATOM 0 H GLU A 99 -17.239 -7.900 -16.568 1.00 0.34 H new ATOM 0 HA GLU A 99 -18.258 -5.802 -18.092 1.00 73.14 H new ATOM 0 HB2 GLU A 99 -16.728 -5.897 -15.471 1.00 23.30 H new ATOM 0 HB3 GLU A 99 -17.407 -4.414 -16.110 1.00 23.30 H new ATOM 0 HG2 GLU A 99 -19.346 -6.626 -16.050 1.00 60.30 H new ATOM 0 HG3 GLU A 99 -18.701 -6.240 -14.466 1.00 60.30 H new ATOM 1584 N ALA A 100 -14.974 -5.881 -17.922 1.00 43.04 N ATOM 1585 CA ALA A 100 -13.754 -5.334 -18.502 1.00 64.10 C ATOM 1586 C ALA A 100 -13.767 -5.455 -20.021 1.00 72.43 C ATOM 1587 O ALA A 100 -13.139 -4.660 -20.723 1.00 73.32 O ATOM 1588 CB ALA A 100 -12.534 -6.036 -17.925 1.00 42.14 C ATOM 0 H ALA A 100 -14.826 -6.679 -17.305 1.00 43.04 H new ATOM 0 HA ALA A 100 -13.704 -4.275 -18.248 1.00 64.10 H new ATOM 0 HB1 ALA A 100 -11.630 -5.617 -18.367 1.00 42.14 H new ATOM 0 HB2 ALA A 100 -12.509 -5.893 -16.845 1.00 42.14 H new ATOM 0 HB3 ALA A 100 -12.587 -7.101 -18.149 1.00 42.14 H new ATOM 1594 N LEU A 101 -14.485 -6.454 -20.525 1.00 13.54 N ATOM 1595 CA LEU A 101 -14.578 -6.678 -21.963 1.00 73.24 C ATOM 1596 C LEU A 101 -15.646 -5.785 -22.586 1.00 13.42 C ATOM 1597 O LEU A 101 -15.514 -5.346 -23.729 1.00 40.42 O ATOM 1598 CB LEU A 101 -14.896 -8.147 -22.249 1.00 73.24 C ATOM 1599 CG LEU A 101 -13.781 -9.148 -21.940 1.00 12.04 C ATOM 1600 CD1 LEU A 101 -14.364 -10.517 -21.625 1.00 21.54 C ATOM 1601 CD2 LEU A 101 -12.807 -9.236 -23.105 1.00 54.23 C ATOM 0 H LEU A 101 -15.010 -7.121 -19.959 1.00 13.54 H new ATOM 0 HA LEU A 101 -13.616 -6.426 -22.408 1.00 73.24 H new ATOM 0 HB2 LEU A 101 -15.778 -8.426 -21.672 1.00 73.24 H new ATOM 0 HB3 LEU A 101 -15.161 -8.242 -23.302 1.00 73.24 H new ATOM 0 HG LEU A 101 -13.237 -8.798 -21.063 1.00 12.04 H new ATOM 0 HD11 LEU A 101 -13.556 -11.215 -21.408 1.00 21.54 H new ATOM 0 HD12 LEU A 101 -15.021 -10.442 -20.759 1.00 21.54 H new ATOM 0 HD13 LEU A 101 -14.933 -10.876 -22.482 1.00 21.54 H new ATOM 0 HD21 LEU A 101 -12.020 -9.952 -22.868 1.00 54.23 H new ATOM 0 HD22 LEU A 101 -13.338 -9.562 -23.999 1.00 54.23 H new ATOM 0 HD23 LEU A 101 -12.364 -8.256 -23.283 1.00 54.23 H new ATOM 1613 N ASP A 102 -16.703 -5.518 -21.827 1.00 3.24 N ATOM 1614 CA ASP A 102 -17.792 -4.673 -22.303 1.00 50.30 C ATOM 1615 C ASP A 102 -17.334 -3.225 -22.446 1.00 42.22 C ATOM 1616 O ASP A 102 -17.744 -2.521 -23.369 1.00 64.32 O ATOM 1617 CB ASP A 102 -18.982 -4.752 -21.346 1.00 45.02 C ATOM 1618 CG ASP A 102 -19.568 -6.148 -21.264 1.00 32.10 C ATOM 1619 OD1 ASP A 102 -19.441 -6.904 -22.250 1.00 1.21 O ATOM 1620 OD2 ASP A 102 -20.153 -6.485 -20.213 1.00 53.45 O ATOM 0 H ASP A 102 -16.829 -5.874 -20.880 1.00 3.24 H new ATOM 0 HA ASP A 102 -18.099 -5.036 -23.284 1.00 50.30 H new ATOM 0 HB2 ASP A 102 -18.667 -4.435 -20.352 1.00 45.02 H new ATOM 0 HB3 ASP A 102 -19.754 -4.056 -21.673 1.00 45.02 H new ATOM 1625 N LYS A 103 -16.482 -2.786 -21.526 1.00 14.12 N ATOM 1626 CA LYS A 103 -15.967 -1.421 -21.549 1.00 64.43 C ATOM 1627 C LYS A 103 -15.098 -1.189 -22.780 1.00 15.21 C ATOM 1628 O LYS A 103 -15.084 -0.094 -23.344 1.00 31.04 O ATOM 1629 CB LYS A 103 -15.160 -1.138 -20.280 1.00 30.54 C ATOM 1630 CG LYS A 103 -15.979 -1.234 -19.005 1.00 41.13 C ATOM 1631 CD LYS A 103 -16.307 0.141 -18.447 1.00 1.35 C ATOM 1632 CE LYS A 103 -16.931 0.047 -17.063 1.00 23.33 C ATOM 1633 NZ LYS A 103 -18.314 0.600 -17.041 1.00 5.23 N ATOM 0 H LYS A 103 -16.133 -3.355 -20.755 1.00 14.12 H new ATOM 0 HA LYS A 103 -16.816 -0.739 -21.592 1.00 64.43 H new ATOM 0 HB2 LYS A 103 -14.330 -1.842 -20.223 1.00 30.54 H new ATOM 0 HB3 LYS A 103 -14.727 -0.140 -20.350 1.00 30.54 H new ATOM 0 HG2 LYS A 103 -16.903 -1.776 -19.205 1.00 41.13 H new ATOM 0 HG3 LYS A 103 -15.428 -1.808 -18.260 1.00 41.13 H new ATOM 0 HD2 LYS A 103 -15.398 0.741 -18.397 1.00 1.35 H new ATOM 0 HD3 LYS A 103 -16.992 0.655 -19.122 1.00 1.35 H new ATOM 0 HE2 LYS A 103 -16.951 -0.995 -16.743 1.00 23.33 H new ATOM 0 HE3 LYS A 103 -16.312 0.588 -16.348 1.00 23.33 H new ATOM 0 HZ1 LYS A 103 -18.705 0.518 -16.081 1.00 5.23 H new ATOM 0 HZ2 LYS A 103 -18.292 1.601 -17.322 1.00 5.23 H new ATOM 0 HZ3 LYS A 103 -18.911 0.067 -17.705 1.00 5.23 H new ATOM 1647 N ILE A 104 -14.374 -2.224 -23.192 1.00 4.11 N ATOM 1648 CA ILE A 104 -13.504 -2.132 -24.358 1.00 44.53 C ATOM 1649 C ILE A 104 -14.308 -2.204 -25.651 1.00 63.01 C ATOM 1650 O ILE A 104 -14.072 -1.435 -26.583 1.00 64.34 O ATOM 1651 CB ILE A 104 -12.447 -3.252 -24.360 1.00 54.04 C ATOM 1652 CG1 ILE A 104 -11.629 -3.215 -23.068 1.00 62.13 C ATOM 1653 CG2 ILE A 104 -11.537 -3.118 -25.573 1.00 73.31 C ATOM 1654 CD1 ILE A 104 -10.771 -4.443 -22.860 1.00 52.42 C ATOM 0 H ILE A 104 -14.373 -3.136 -22.736 1.00 4.11 H new ATOM 0 HA ILE A 104 -13.000 -1.167 -24.301 1.00 44.53 H new ATOM 0 HB ILE A 104 -12.958 -4.213 -24.416 1.00 54.04 H new ATOM 0 HG12 ILE A 104 -10.989 -2.332 -23.078 1.00 62.13 H new ATOM 0 HG13 ILE A 104 -12.307 -3.108 -22.221 1.00 62.13 H new ATOM 0 HG21 ILE A 104 -10.795 -3.916 -25.561 1.00 73.31 H new ATOM 0 HG22 ILE A 104 -12.132 -3.189 -26.484 1.00 73.31 H new ATOM 0 HG23 ILE A 104 -11.032 -2.153 -25.544 1.00 73.31 H new ATOM 0 HD11 ILE A 104 -10.219 -4.347 -21.925 1.00 52.42 H new ATOM 0 HD12 ILE A 104 -11.406 -5.328 -22.818 1.00 52.42 H new ATOM 0 HD13 ILE A 104 -10.068 -4.540 -23.687 1.00 52.42 H new