USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=15 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 29 TYR OH : rot 162:sc= 0.756 USER MOD Set 1.2: A 97 THR OG1 : rot 126:sc= 1.11 USER MOD Set 2.1: A 63 GLN : amide:sc= -0.1 K(o=1.1,f=1.7) USER MOD Set 2.2: A 67 SER OG : rot 79:sc= 1.25 USER MOD Single : A 9 SER OG : rot 180:sc= -0.111 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (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= -2.31! C(o=-2.3!,f=-2.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-6.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.24) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.565 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.67 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc=-0.00669 USER MOD Single : A 80 ASN : amide:sc= -0.709 K(o=-0.71,f=-1.7) USER MOD Single : A 81 THR OG1 : rot 79:sc= 0.5 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -150:sc= -2.07! USER MOD Single : A 89 HIS : no HD1:sc= -0.418 K(o=-0.084,f=-4.4!) USER MOD Single : A 90 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.7!) 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 14.617 -2.328 4.204 1.00 63.04 N ATOM 64 CA VAL A 7 15.136 -3.676 4.006 1.00 13.40 C ATOM 65 C VAL A 7 14.450 -4.671 4.935 1.00 42.33 C ATOM 66 O VAL A 7 13.684 -5.527 4.491 1.00 30.14 O ATOM 67 CB VAL A 7 16.656 -3.732 4.242 1.00 52.43 C ATOM 68 CG1 VAL A 7 17.192 -5.124 3.941 1.00 53.22 C ATOM 69 CG2 VAL A 7 17.366 -2.685 3.397 1.00 52.11 C ATOM 0 HA VAL A 7 14.927 -3.947 2.971 1.00 13.40 H new ATOM 0 HB VAL A 7 16.851 -3.512 5.292 1.00 52.43 H new ATOM 0 HG11 VAL A 7 18.268 -5.145 4.113 1.00 53.22 H new ATOM 0 HG12 VAL A 7 16.706 -5.850 4.593 1.00 53.22 H new ATOM 0 HG13 VAL A 7 16.986 -5.376 2.901 1.00 53.22 H new ATOM 0 HG21 VAL A 7 18.440 -2.739 3.577 1.00 52.11 H new ATOM 0 HG22 VAL A 7 17.165 -2.871 2.342 1.00 52.11 H new ATOM 0 HG23 VAL A 7 17.003 -1.693 3.666 1.00 52.11 H new ATOM 79 N LEU A 8 14.730 -4.553 6.229 1.00 2.21 N ATOM 80 CA LEU A 8 14.141 -5.442 7.223 1.00 32.21 C ATOM 81 C LEU A 8 12.924 -4.796 7.877 1.00 61.24 C ATOM 82 O LEU A 8 12.920 -3.597 8.157 1.00 5.13 O ATOM 83 CB LEU A 8 15.176 -5.805 8.290 1.00 33.14 C ATOM 84 CG LEU A 8 16.206 -6.862 7.892 1.00 41.30 C ATOM 85 CD1 LEU A 8 17.240 -7.040 8.993 1.00 45.30 C ATOM 86 CD2 LEU A 8 15.521 -8.186 7.583 1.00 61.44 C ATOM 0 H LEU A 8 15.361 -3.850 6.613 1.00 2.21 H new ATOM 0 HA LEU A 8 13.818 -6.351 6.716 1.00 32.21 H new ATOM 0 HB2 LEU A 8 15.708 -4.897 8.576 1.00 33.14 H new ATOM 0 HB3 LEU A 8 14.647 -6.157 9.176 1.00 33.14 H new ATOM 0 HG LEU A 8 16.718 -6.522 6.992 1.00 41.30 H new ATOM 0 HD11 LEU A 8 17.965 -7.796 8.692 1.00 45.30 H new ATOM 0 HD12 LEU A 8 17.753 -6.094 9.167 1.00 45.30 H new ATOM 0 HD13 LEU A 8 16.744 -7.357 9.910 1.00 45.30 H new ATOM 0 HD21 LEU A 8 16.270 -8.926 7.302 1.00 61.44 H new ATOM 0 HD22 LEU A 8 14.983 -8.532 8.465 1.00 61.44 H new ATOM 0 HD23 LEU A 8 14.819 -8.049 6.760 1.00 61.44 H new ATOM 98 N SER A 9 11.893 -5.599 8.122 1.00 0.22 N ATOM 99 CA SER A 9 10.670 -5.105 8.743 1.00 63.52 C ATOM 100 C SER A 9 10.796 -5.099 10.264 1.00 4.12 C ATOM 101 O SER A 9 11.863 -5.376 10.810 1.00 5.33 O ATOM 102 CB SER A 9 9.476 -5.964 8.322 1.00 20.23 C ATOM 103 OG SER A 9 9.204 -6.966 9.286 1.00 71.14 O ATOM 0 H SER A 9 11.881 -6.594 7.900 1.00 0.22 H new ATOM 0 HA SER A 9 10.509 -4.081 8.406 1.00 63.52 H new ATOM 0 HB2 SER A 9 8.597 -5.332 8.192 1.00 20.23 H new ATOM 0 HB3 SER A 9 9.680 -6.429 7.357 1.00 20.23 H new ATOM 0 HG SER A 9 8.436 -7.500 8.995 1.00 71.14 H new ATOM 109 N GLY A 10 9.697 -4.782 10.941 1.00 64.40 N ATOM 110 CA GLY A 10 9.705 -4.745 12.393 1.00 12.12 C ATOM 111 C GLY A 10 10.072 -6.083 13.003 1.00 70.31 C ATOM 112 O GLY A 10 10.946 -6.160 13.865 1.00 72.42 O ATOM 0 H GLY A 10 8.802 -4.550 10.511 1.00 64.40 H new ATOM 0 HA2 GLY A 10 10.413 -3.988 12.731 1.00 12.12 H new ATOM 0 HA3 GLY A 10 8.721 -4.443 12.751 1.00 12.12 H new ATOM 116 N GLY A 11 9.399 -7.140 12.557 1.00 45.41 N ATOM 117 CA GLY A 11 9.673 -8.467 13.078 1.00 65.41 C ATOM 118 C GLY A 11 11.074 -8.941 12.751 1.00 11.41 C ATOM 119 O GLY A 11 11.725 -9.588 13.570 1.00 61.44 O ATOM 0 H GLY A 11 8.670 -7.101 11.845 1.00 45.41 H new ATOM 0 HA2 GLY A 11 9.537 -8.464 14.159 1.00 65.41 H new ATOM 0 HA3 GLY A 11 8.950 -9.171 12.668 1.00 65.41 H new ATOM 123 N GLU A 12 11.540 -8.621 11.546 1.00 60.22 N ATOM 124 CA GLU A 12 12.873 -9.022 11.113 1.00 11.23 C ATOM 125 C GLU A 12 13.947 -8.240 11.862 1.00 51.02 C ATOM 126 O GLU A 12 15.011 -8.774 12.181 1.00 53.21 O ATOM 127 CB GLU A 12 13.028 -8.808 9.606 1.00 11.33 C ATOM 128 CG GLU A 12 11.839 -9.297 8.795 1.00 61.00 C ATOM 129 CD GLU A 12 12.039 -9.120 7.302 1.00 72.41 C ATOM 130 OE1 GLU A 12 12.722 -9.968 6.690 1.00 32.03 O ATOM 131 OE2 GLU A 12 11.511 -8.135 6.746 1.00 44.24 O ATOM 0 H GLU A 12 11.014 -8.086 10.855 1.00 60.22 H new ATOM 0 HA GLU A 12 12.997 -10.081 11.338 1.00 11.23 H new ATOM 0 HB2 GLU A 12 13.177 -7.746 9.412 1.00 11.33 H new ATOM 0 HB3 GLU A 12 13.926 -9.323 9.265 1.00 11.33 H new ATOM 0 HG2 GLU A 12 11.665 -10.351 9.012 1.00 61.00 H new ATOM 0 HG3 GLU A 12 10.945 -8.756 9.105 1.00 61.00 H new ATOM 138 N LEU A 13 13.663 -6.973 12.140 1.00 14.22 N ATOM 139 CA LEU A 13 14.605 -6.116 12.851 1.00 71.41 C ATOM 140 C LEU A 13 14.878 -6.653 14.253 1.00 52.52 C ATOM 141 O LEU A 13 16.003 -6.575 14.749 1.00 73.52 O ATOM 142 CB LEU A 13 14.061 -4.688 12.938 1.00 33.43 C ATOM 143 CG LEU A 13 15.085 -3.598 13.256 1.00 34.01 C ATOM 144 CD1 LEU A 13 16.193 -3.587 12.213 1.00 64.53 C ATOM 145 CD2 LEU A 13 14.408 -2.237 13.332 1.00 73.22 C ATOM 0 H LEU A 13 12.788 -6.516 11.884 1.00 14.22 H new ATOM 0 HA LEU A 13 15.542 -6.109 12.295 1.00 71.41 H new ATOM 0 HB2 LEU A 13 13.583 -4.444 11.989 1.00 33.43 H new ATOM 0 HB3 LEU A 13 13.284 -4.663 13.702 1.00 33.43 H new ATOM 0 HG LEU A 13 15.530 -3.815 14.227 1.00 34.01 H new ATOM 0 HD11 LEU A 13 16.913 -2.805 12.455 1.00 64.53 H new ATOM 0 HD12 LEU A 13 16.696 -4.554 12.206 1.00 64.53 H new ATOM 0 HD13 LEU A 13 15.765 -3.394 11.229 1.00 64.53 H new ATOM 0 HD21 LEU A 13 15.151 -1.473 13.559 1.00 73.22 H new ATOM 0 HD22 LEU A 13 13.936 -2.011 12.376 1.00 73.22 H new ATOM 0 HD23 LEU A 13 13.651 -2.251 14.116 1.00 73.22 H new ATOM 157 N ASP A 14 13.845 -7.201 14.883 1.00 44.10 N ATOM 158 CA ASP A 14 13.976 -7.755 16.226 1.00 1.44 C ATOM 159 C ASP A 14 15.001 -8.884 16.251 1.00 10.24 C ATOM 160 O ASP A 14 16.005 -8.811 16.959 1.00 32.22 O ATOM 161 CB ASP A 14 12.623 -8.267 16.722 1.00 21.44 C ATOM 162 CG ASP A 14 12.565 -8.381 18.233 1.00 45.52 C ATOM 163 OD1 ASP A 14 13.021 -7.440 18.917 1.00 51.42 O ATOM 164 OD2 ASP A 14 12.066 -9.410 18.731 1.00 61.50 O ATOM 0 H ASP A 14 12.908 -7.274 14.486 1.00 44.10 H new ATOM 0 HA ASP A 14 14.321 -6.961 16.888 1.00 1.44 H new ATOM 0 HB2 ASP A 14 11.836 -7.594 16.381 1.00 21.44 H new ATOM 0 HB3 ASP A 14 12.422 -9.243 16.279 1.00 21.44 H new ATOM 169 N LYS A 15 14.741 -9.929 15.472 1.00 34.44 N ATOM 170 CA LYS A 15 15.640 -11.075 15.404 1.00 33.01 C ATOM 171 C LYS A 15 16.991 -10.673 14.823 1.00 61.10 C ATOM 172 O LYS A 15 18.036 -11.142 15.275 1.00 61.22 O ATOM 173 CB LYS A 15 15.019 -12.187 14.555 1.00 34.23 C ATOM 174 CG LYS A 15 14.130 -13.132 15.344 1.00 22.30 C ATOM 175 CD LYS A 15 13.268 -13.984 14.428 1.00 41.14 C ATOM 176 CE LYS A 15 12.247 -14.791 15.215 1.00 12.43 C ATOM 177 NZ LYS A 15 12.749 -16.154 15.543 1.00 13.23 N ATOM 0 H LYS A 15 13.915 -10.006 14.879 1.00 34.44 H new ATOM 0 HA LYS A 15 15.795 -11.444 16.418 1.00 33.01 H new ATOM 0 HB2 LYS A 15 14.434 -11.736 13.753 1.00 34.23 H new ATOM 0 HB3 LYS A 15 15.817 -12.761 14.084 1.00 34.23 H new ATOM 0 HG2 LYS A 15 14.748 -13.778 15.968 1.00 22.30 H new ATOM 0 HG3 LYS A 15 13.491 -12.557 16.015 1.00 22.30 H new ATOM 0 HD2 LYS A 15 12.753 -13.344 13.712 1.00 41.14 H new ATOM 0 HD3 LYS A 15 13.902 -14.659 13.854 1.00 41.14 H new ATOM 0 HE2 LYS A 15 12.000 -14.264 16.136 1.00 12.43 H new ATOM 0 HE3 LYS A 15 11.326 -14.873 14.638 1.00 12.43 H new ATOM 0 HZ1 LYS A 15 12.024 -16.671 16.079 1.00 13.23 H new ATOM 0 HZ2 LYS A 15 12.961 -16.667 14.663 1.00 13.23 H new ATOM 0 HZ3 LYS A 15 13.614 -16.077 16.116 1.00 13.23 H new ATOM 191 N TRP A 16 16.964 -9.801 13.822 1.00 22.44 N ATOM 192 CA TRP A 16 18.188 -9.335 13.181 1.00 4.03 C ATOM 193 C TRP A 16 19.167 -8.784 14.213 1.00 13.01 C ATOM 194 O TRP A 16 20.374 -8.997 14.108 1.00 60.55 O ATOM 195 CB TRP A 16 17.866 -8.260 12.141 1.00 25.34 C ATOM 196 CG TRP A 16 19.085 -7.600 11.572 1.00 42.53 C ATOM 197 CD1 TRP A 16 19.657 -6.432 11.990 1.00 21.33 C ATOM 198 CD2 TRP A 16 19.881 -8.069 10.477 1.00 65.53 C ATOM 199 NE1 TRP A 16 20.760 -6.148 11.222 1.00 25.43 N ATOM 200 CE2 TRP A 16 20.920 -7.137 10.288 1.00 24.03 C ATOM 201 CE3 TRP A 16 19.819 -9.187 9.642 1.00 32.33 C ATOM 202 CZ2 TRP A 16 21.885 -7.289 9.297 1.00 12.43 C ATOM 203 CZ3 TRP A 16 20.777 -9.337 8.657 1.00 65.22 C ATOM 204 CH2 TRP A 16 21.800 -8.393 8.492 1.00 22.01 C ATOM 0 H TRP A 16 16.108 -9.402 13.437 1.00 22.44 H new ATOM 0 HA TRP A 16 18.654 -10.185 12.683 1.00 4.03 H new ATOM 0 HB2 TRP A 16 17.293 -8.709 11.330 1.00 25.34 H new ATOM 0 HB3 TRP A 16 17.231 -7.501 12.598 1.00 25.34 H new ATOM 0 HD1 TRP A 16 19.295 -5.822 12.804 1.00 21.33 H new ATOM 0 HE1 TRP A 16 21.363 -5.332 11.330 1.00 25.43 H new ATOM 0 HE3 TRP A 16 19.036 -9.921 9.764 1.00 32.33 H new ATOM 0 HZ2 TRP A 16 22.673 -6.562 9.168 1.00 12.43 H new ATOM 0 HZ3 TRP A 16 20.737 -10.196 8.004 1.00 65.22 H new ATOM 0 HH2 TRP A 16 22.535 -8.539 7.715 1.00 22.01 H new ATOM 215 N GLU A 17 18.638 -8.078 15.206 1.00 24.34 N ATOM 216 CA GLU A 17 19.467 -7.498 16.256 1.00 71.12 C ATOM 217 C GLU A 17 20.006 -8.582 17.186 1.00 52.51 C ATOM 218 O GLU A 17 21.040 -8.406 17.829 1.00 3.21 O ATOM 219 CB GLU A 17 18.666 -6.472 17.061 1.00 51.25 C ATOM 220 CG GLU A 17 18.635 -5.092 16.429 1.00 2.34 C ATOM 221 CD GLU A 17 18.369 -3.992 17.439 1.00 43.32 C ATOM 222 OE1 GLU A 17 19.344 -3.480 18.027 1.00 42.33 O ATOM 223 OE2 GLU A 17 17.187 -3.645 17.641 1.00 44.43 O ATOM 0 H GLU A 17 17.640 -7.894 15.306 1.00 24.34 H new ATOM 0 HA GLU A 17 20.311 -6.998 15.782 1.00 71.12 H new ATOM 0 HB2 GLU A 17 17.644 -6.832 17.177 1.00 51.25 H new ATOM 0 HB3 GLU A 17 19.092 -6.395 18.061 1.00 51.25 H new ATOM 0 HG2 GLU A 17 19.587 -4.902 15.933 1.00 2.34 H new ATOM 0 HG3 GLU A 17 17.864 -5.067 15.659 1.00 2.34 H new ATOM 230 N LYS A 18 19.296 -9.703 17.250 1.00 42.53 N ATOM 231 CA LYS A 18 19.702 -10.817 18.099 1.00 71.51 C ATOM 232 C LYS A 18 20.795 -11.642 17.429 1.00 15.24 C ATOM 233 O LYS A 18 21.757 -12.059 18.076 1.00 3.05 O ATOM 234 CB LYS A 18 18.498 -11.708 18.416 1.00 15.42 C ATOM 235 CG LYS A 18 17.750 -11.295 19.671 1.00 60.42 C ATOM 236 CD LYS A 18 17.227 -12.502 20.431 1.00 34.44 C ATOM 237 CE LYS A 18 15.778 -12.800 20.076 1.00 13.23 C ATOM 238 NZ LYS A 18 15.113 -13.637 21.112 1.00 22.04 N ATOM 0 H LYS A 18 18.437 -9.864 16.724 1.00 42.53 H new ATOM 0 HA LYS A 18 20.099 -10.407 19.028 1.00 71.51 H new ATOM 0 HB2 LYS A 18 17.810 -11.689 17.571 1.00 15.42 H new ATOM 0 HB3 LYS A 18 18.838 -12.738 18.528 1.00 15.42 H new ATOM 0 HG2 LYS A 18 18.411 -10.716 20.316 1.00 60.42 H new ATOM 0 HG3 LYS A 18 16.918 -10.645 19.402 1.00 60.42 H new ATOM 0 HD2 LYS A 18 17.844 -13.371 20.204 1.00 34.44 H new ATOM 0 HD3 LYS A 18 17.310 -12.322 21.503 1.00 34.44 H new ATOM 0 HE2 LYS A 18 15.232 -11.863 19.961 1.00 13.23 H new ATOM 0 HE3 LYS A 18 15.738 -13.312 19.115 1.00 13.23 H new ATOM 0 HZ1 LYS A 18 14.128 -13.817 20.833 1.00 22.04 H new ATOM 0 HZ2 LYS A 18 15.618 -14.542 21.204 1.00 22.04 H new ATOM 0 HZ3 LYS A 18 15.128 -13.138 22.024 1.00 22.04 H new ATOM 252 N ILE A 19 20.643 -11.874 16.129 1.00 22.53 N ATOM 253 CA ILE A 19 21.619 -12.647 15.371 1.00 64.21 C ATOM 254 C ILE A 19 23.031 -12.111 15.586 1.00 23.12 C ATOM 255 O ILE A 19 23.282 -10.916 15.429 1.00 41.21 O ATOM 256 CB ILE A 19 21.301 -12.635 13.865 1.00 22.45 C ATOM 257 CG1 ILE A 19 19.907 -13.212 13.611 1.00 1.35 C ATOM 258 CG2 ILE A 19 22.353 -13.417 13.094 1.00 62.15 C ATOM 259 CD1 ILE A 19 19.305 -12.780 12.292 1.00 31.25 C ATOM 0 H ILE A 19 19.853 -11.537 15.579 1.00 22.53 H new ATOM 0 HA ILE A 19 21.562 -13.672 15.737 1.00 64.21 H new ATOM 0 HB ILE A 19 21.316 -11.603 13.514 1.00 22.45 H new ATOM 0 HG12 ILE A 19 19.963 -14.300 13.636 1.00 1.35 H new ATOM 0 HG13 ILE A 19 19.244 -12.908 14.421 1.00 1.35 H new ATOM 0 HG21 ILE A 19 22.113 -13.399 12.031 1.00 62.15 H new ATOM 0 HG22 ILE A 19 23.332 -12.965 13.253 1.00 62.15 H new ATOM 0 HG23 ILE A 19 22.369 -14.449 13.445 1.00 62.15 H new ATOM 0 HD11 ILE A 19 18.317 -13.227 12.179 1.00 31.25 H new ATOM 0 HD12 ILE A 19 19.217 -11.694 12.271 1.00 31.25 H new ATOM 0 HD13 ILE A 19 19.947 -13.108 11.474 1.00 31.25 H new ATOM 271 N ARG A 20 23.949 -13.003 15.943 1.00 74.43 N ATOM 272 CA ARG A 20 25.336 -12.620 16.178 1.00 74.20 C ATOM 273 C ARG A 20 26.142 -12.679 14.884 1.00 44.14 C ATOM 274 O ARG A 20 25.714 -13.282 13.901 1.00 1.43 O ATOM 275 CB ARG A 20 25.968 -13.535 17.229 1.00 20.11 C ATOM 276 CG ARG A 20 25.629 -13.146 18.658 1.00 53.15 C ATOM 277 CD ARG A 20 25.635 -14.355 19.581 1.00 0.54 C ATOM 278 NE ARG A 20 25.465 -13.977 20.981 1.00 41.11 N ATOM 279 CZ ARG A 20 25.437 -14.851 21.980 1.00 74.55 C ATOM 280 NH1 ARG A 20 25.567 -16.148 21.735 1.00 5.31 N ATOM 281 NH2 ARG A 20 25.279 -14.429 23.228 1.00 32.12 N ATOM 0 H ARG A 20 23.757 -13.996 16.076 1.00 74.43 H new ATOM 0 HA ARG A 20 25.347 -11.594 16.546 1.00 74.20 H new ATOM 0 HB2 ARG A 20 25.639 -14.559 17.052 1.00 20.11 H new ATOM 0 HB3 ARG A 20 27.051 -13.523 17.105 1.00 20.11 H new ATOM 0 HG2 ARG A 20 26.349 -12.410 19.016 1.00 53.15 H new ATOM 0 HG3 ARG A 20 24.648 -12.672 18.684 1.00 53.15 H new ATOM 0 HD2 ARG A 20 24.836 -15.037 19.290 1.00 0.54 H new ATOM 0 HD3 ARG A 20 26.574 -14.896 19.463 1.00 0.54 H new ATOM 0 HE ARG A 20 25.362 -12.987 21.204 1.00 41.11 H new ATOM 0 HH11 ARG A 20 25.689 -16.476 20.777 1.00 5.31 H new ATOM 0 HH12 ARG A 20 25.545 -16.817 22.505 1.00 5.31 H new ATOM 0 HH21 ARG A 20 25.179 -13.432 23.421 1.00 32.12 H new ATOM 0 HH22 ARG A 20 25.258 -15.101 23.995 1.00 32.12 H new ATOM 295 N LEU A 21 27.311 -12.047 14.894 1.00 73.20 N ATOM 296 CA LEU A 21 28.179 -12.026 13.722 1.00 14.20 C ATOM 297 C LEU A 21 28.967 -13.328 13.603 1.00 24.54 C ATOM 298 O LEU A 21 29.045 -13.921 12.528 1.00 42.14 O ATOM 299 CB LEU A 21 29.140 -10.840 13.795 1.00 43.52 C ATOM 300 CG LEU A 21 28.525 -9.460 13.559 1.00 62.43 C ATOM 301 CD1 LEU A 21 29.572 -8.371 13.733 1.00 21.41 C ATOM 302 CD2 LEU A 21 27.901 -9.385 12.174 1.00 31.34 C ATOM 0 H LEU A 21 27.679 -11.543 15.701 1.00 73.20 H new ATOM 0 HA LEU A 21 27.550 -11.922 12.838 1.00 14.20 H new ATOM 0 HB2 LEU A 21 29.613 -10.841 14.777 1.00 43.52 H new ATOM 0 HB3 LEU A 21 29.931 -10.993 13.061 1.00 43.52 H new ATOM 0 HG LEU A 21 27.740 -9.302 14.299 1.00 62.43 H new ATOM 0 HD11 LEU A 21 29.115 -7.396 13.561 1.00 21.41 H new ATOM 0 HD12 LEU A 21 29.973 -8.410 14.746 1.00 21.41 H new ATOM 0 HD13 LEU A 21 30.379 -8.525 13.017 1.00 21.41 H new ATOM 0 HD21 LEU A 21 27.468 -8.396 12.023 1.00 31.34 H new ATOM 0 HD22 LEU A 21 28.667 -9.565 11.420 1.00 31.34 H new ATOM 0 HD23 LEU A 21 27.120 -10.140 12.085 1.00 31.34 H new ATOM 314 N ARG A 22 29.545 -13.766 14.716 1.00 50.22 N ATOM 315 CA ARG A 22 30.325 -14.997 14.738 1.00 11.03 C ATOM 316 C ARG A 22 29.696 -16.023 15.677 1.00 52.50 C ATOM 317 O ARG A 22 28.908 -15.690 16.563 1.00 3.54 O ATOM 318 CB ARG A 22 31.763 -14.707 15.171 1.00 74.32 C ATOM 319 CG ARG A 22 32.755 -14.689 14.020 1.00 24.33 C ATOM 320 CD ARG A 22 32.464 -13.552 13.052 1.00 61.22 C ATOM 321 NE ARG A 22 33.185 -13.707 11.793 1.00 53.53 N ATOM 322 CZ ARG A 22 32.898 -14.639 10.891 1.00 0.23 C ATOM 323 NH1 ARG A 22 31.909 -15.494 11.109 1.00 53.24 N ATOM 324 NH2 ARG A 22 33.601 -14.717 9.768 1.00 65.20 N ATOM 0 H ARG A 22 29.488 -13.287 15.615 1.00 50.22 H new ATOM 0 HA ARG A 22 30.333 -15.410 13.729 1.00 11.03 H new ATOM 0 HB2 ARG A 22 31.793 -13.744 15.680 1.00 74.32 H new ATOM 0 HB3 ARG A 22 32.074 -15.460 15.895 1.00 74.32 H new ATOM 0 HG2 ARG A 22 33.767 -14.585 14.412 1.00 24.33 H new ATOM 0 HG3 ARG A 22 32.715 -15.640 13.489 1.00 24.33 H new ATOM 0 HD2 ARG A 22 31.393 -13.510 12.854 1.00 61.22 H new ATOM 0 HD3 ARG A 22 32.740 -12.604 13.513 1.00 61.22 H new ATOM 0 HE ARG A 22 33.952 -13.064 11.595 1.00 53.53 H new ATOM 0 HH11 ARG A 22 31.366 -15.437 11.971 1.00 53.24 H new ATOM 0 HH12 ARG A 22 31.690 -16.209 10.415 1.00 53.24 H new ATOM 0 HH21 ARG A 22 34.363 -14.061 9.597 1.00 65.20 H new ATOM 0 HH22 ARG A 22 33.379 -15.433 9.076 1.00 65.20 H new ATOM 338 N PRO A 23 30.050 -17.301 15.479 1.00 62.23 N ATOM 339 CA PRO A 23 29.533 -18.402 16.298 1.00 23.12 C ATOM 340 C PRO A 23 30.075 -18.369 17.724 1.00 2.21 C ATOM 341 O PRO A 23 29.387 -18.750 18.669 1.00 30.55 O ATOM 342 CB PRO A 23 30.028 -19.651 15.567 1.00 33.40 C ATOM 343 CG PRO A 23 31.240 -19.203 14.827 1.00 44.33 C ATOM 344 CD PRO A 23 30.984 -17.772 14.443 1.00 44.25 C ATOM 0 HA PRO A 23 28.449 -18.356 16.405 1.00 23.12 H new ATOM 0 HB2 PRO A 23 30.266 -20.451 16.268 1.00 33.40 H new ATOM 0 HB3 PRO A 23 29.269 -20.038 14.887 1.00 33.40 H new ATOM 0 HG2 PRO A 23 32.131 -19.287 15.450 1.00 44.33 H new ATOM 0 HG3 PRO A 23 31.409 -19.820 13.944 1.00 44.33 H new ATOM 0 HD2 PRO A 23 31.904 -17.187 14.436 1.00 44.25 H new ATOM 0 HD3 PRO A 23 30.550 -17.695 13.446 1.00 44.25 H new ATOM 352 N GLY A 24 31.314 -17.909 17.870 1.00 70.34 N ATOM 353 CA GLY A 24 31.926 -17.835 19.184 1.00 4.30 C ATOM 354 C GLY A 24 32.246 -16.411 19.594 1.00 1.21 C ATOM 355 O GLY A 24 33.320 -16.138 20.128 1.00 43.42 O ATOM 0 H GLY A 24 31.904 -17.587 17.103 1.00 70.34 H new ATOM 0 HA2 GLY A 24 31.256 -18.280 19.919 1.00 4.30 H new ATOM 0 HA3 GLY A 24 32.842 -18.426 19.189 1.00 4.30 H new ATOM 359 N GLY A 25 31.311 -15.500 19.342 1.00 63.33 N ATOM 360 CA GLY A 25 31.519 -14.107 19.695 1.00 52.42 C ATOM 361 C GLY A 25 30.369 -13.534 20.499 1.00 13.32 C ATOM 362 O GLY A 25 29.416 -14.243 20.825 1.00 72.42 O ATOM 0 H GLY A 25 30.414 -15.701 18.900 1.00 63.33 H new ATOM 0 HA2 GLY A 25 32.441 -14.015 20.269 1.00 52.42 H new ATOM 0 HA3 GLY A 25 31.650 -13.521 18.785 1.00 52.42 H new ATOM 366 N LYS A 26 30.456 -12.249 20.820 1.00 64.13 N ATOM 367 CA LYS A 26 29.415 -11.580 21.592 1.00 32.23 C ATOM 368 C LYS A 26 28.750 -10.481 20.769 1.00 22.40 C ATOM 369 O LYS A 26 27.598 -10.120 21.013 1.00 12.02 O ATOM 370 CB LYS A 26 30.004 -10.986 22.874 1.00 32.42 C ATOM 371 CG LYS A 26 28.955 -10.454 23.835 1.00 23.23 C ATOM 372 CD LYS A 26 29.558 -10.119 25.189 1.00 32.43 C ATOM 373 CE LYS A 26 29.228 -11.184 26.224 1.00 51.53 C ATOM 374 NZ LYS A 26 30.259 -12.258 26.261 1.00 54.35 N ATOM 0 H LYS A 26 31.237 -11.648 20.558 1.00 64.13 H new ATOM 0 HA LYS A 26 28.660 -12.320 21.856 1.00 32.23 H new ATOM 0 HB2 LYS A 26 30.595 -11.749 23.380 1.00 32.42 H new ATOM 0 HB3 LYS A 26 30.686 -10.178 22.610 1.00 32.42 H new ATOM 0 HG2 LYS A 26 28.491 -9.563 23.412 1.00 23.23 H new ATOM 0 HG3 LYS A 26 28.166 -11.195 23.960 1.00 23.23 H new ATOM 0 HD2 LYS A 26 30.640 -10.025 25.094 1.00 32.43 H new ATOM 0 HD3 LYS A 26 29.183 -9.153 25.527 1.00 32.43 H new ATOM 0 HE2 LYS A 26 29.149 -10.722 27.208 1.00 51.53 H new ATOM 0 HE3 LYS A 26 28.256 -11.621 25.998 1.00 51.53 H new ATOM 0 HZ1 LYS A 26 29.999 -12.965 26.978 1.00 54.35 H new ATOM 0 HZ2 LYS A 26 30.317 -12.716 25.329 1.00 54.35 H new ATOM 0 HZ3 LYS A 26 31.182 -11.845 26.502 1.00 54.35 H new ATOM 388 N LYS A 27 29.481 -9.953 19.793 1.00 62.31 N ATOM 389 CA LYS A 27 28.962 -8.897 18.933 1.00 32.24 C ATOM 390 C LYS A 27 27.665 -9.335 18.256 1.00 71.04 C ATOM 391 O LYS A 27 27.557 -10.462 17.773 1.00 45.21 O ATOM 392 CB LYS A 27 29.998 -8.518 17.873 1.00 40.44 C ATOM 393 CG LYS A 27 30.193 -7.019 17.722 1.00 73.24 C ATOM 394 CD LYS A 27 31.496 -6.695 17.010 1.00 1.14 C ATOM 395 CE LYS A 27 31.366 -5.445 16.153 1.00 53.22 C ATOM 396 NZ LYS A 27 32.696 -4.873 15.802 1.00 23.31 N ATOM 0 H LYS A 27 30.436 -10.240 19.578 1.00 62.31 H new ATOM 0 HA LYS A 27 28.752 -8.027 19.555 1.00 32.24 H new ATOM 0 HB2 LYS A 27 30.953 -8.976 18.130 1.00 40.44 H new ATOM 0 HB3 LYS A 27 29.693 -8.935 16.913 1.00 40.44 H new ATOM 0 HG2 LYS A 27 29.357 -6.597 17.164 1.00 73.24 H new ATOM 0 HG3 LYS A 27 30.188 -6.550 18.706 1.00 73.24 H new ATOM 0 HD2 LYS A 27 32.288 -6.553 17.745 1.00 1.14 H new ATOM 0 HD3 LYS A 27 31.789 -7.538 16.384 1.00 1.14 H new ATOM 0 HE2 LYS A 27 30.822 -5.686 15.240 1.00 53.22 H new ATOM 0 HE3 LYS A 27 30.779 -4.698 16.687 1.00 53.22 H new ATOM 0 HZ1 LYS A 27 32.565 -4.023 15.218 1.00 23.31 H new ATOM 0 HZ2 LYS A 27 33.206 -4.620 16.672 1.00 23.31 H new ATOM 0 HZ3 LYS A 27 33.247 -5.577 15.270 1.00 23.31 H new ATOM 410 N GLN A 28 26.687 -8.436 18.226 1.00 0.33 N ATOM 411 CA GLN A 28 25.399 -8.731 17.608 1.00 42.42 C ATOM 412 C GLN A 28 25.213 -7.923 16.328 1.00 13.02 C ATOM 413 O GLN A 28 25.951 -6.972 16.069 1.00 2.32 O ATOM 414 CB GLN A 28 24.260 -8.432 18.584 1.00 44.44 C ATOM 415 CG GLN A 28 24.421 -7.111 19.320 1.00 40.43 C ATOM 416 CD GLN A 28 24.378 -5.915 18.388 1.00 73.24 C ATOM 417 OE1 GLN A 28 23.325 -5.569 17.853 1.00 33.21 O ATOM 418 NE2 GLN A 28 25.526 -5.277 18.191 1.00 12.22 N ATOM 0 H GLN A 28 26.761 -7.499 18.622 1.00 0.33 H new ATOM 0 HA GLN A 28 25.380 -9.791 17.354 1.00 42.42 H new ATOM 0 HB2 GLN A 28 23.317 -8.421 18.037 1.00 44.44 H new ATOM 0 HB3 GLN A 28 24.196 -9.239 19.313 1.00 44.44 H new ATOM 0 HG2 GLN A 28 23.631 -7.015 20.064 1.00 40.43 H new ATOM 0 HG3 GLN A 28 25.368 -7.113 19.859 1.00 40.43 H new ATOM 0 HE21 GLN A 28 26.375 -5.599 18.656 1.00 12.22 H new ATOM 0 HE22 GLN A 28 25.559 -4.465 17.575 1.00 12.22 H new ATOM 427 N TYR A 29 24.221 -8.308 15.531 1.00 4.41 N ATOM 428 CA TYR A 29 23.940 -7.620 14.276 1.00 14.21 C ATOM 429 C TYR A 29 23.181 -6.321 14.526 1.00 2.54 C ATOM 430 O TYR A 29 22.431 -6.200 15.495 1.00 55.51 O ATOM 431 CB TYR A 29 23.132 -8.526 13.345 1.00 32.52 C ATOM 432 CG TYR A 29 23.968 -9.211 12.289 1.00 2.41 C ATOM 433 CD1 TYR A 29 24.462 -8.503 11.199 1.00 74.31 C ATOM 434 CD2 TYR A 29 24.266 -10.565 12.380 1.00 2.33 C ATOM 435 CE1 TYR A 29 25.227 -9.125 10.231 1.00 74.21 C ATOM 436 CE2 TYR A 29 25.031 -11.194 11.417 1.00 70.21 C ATOM 437 CZ TYR A 29 25.509 -10.471 10.345 1.00 42.34 C ATOM 438 OH TYR A 29 26.271 -11.094 9.384 1.00 15.41 O ATOM 0 H TYR A 29 23.599 -9.091 15.732 1.00 4.41 H new ATOM 0 HA TYR A 29 24.891 -7.378 13.801 1.00 14.21 H new ATOM 0 HB2 TYR A 29 22.623 -9.284 13.941 1.00 32.52 H new ATOM 0 HB3 TYR A 29 22.359 -7.933 12.856 1.00 32.52 H new ATOM 0 HD1 TYR A 29 24.244 -7.449 11.107 1.00 74.31 H new ATOM 0 HD2 TYR A 29 23.893 -11.135 13.218 1.00 2.33 H new ATOM 0 HE1 TYR A 29 25.602 -8.561 9.390 1.00 74.21 H new ATOM 0 HE2 TYR A 29 25.254 -12.247 11.504 1.00 70.21 H new ATOM 0 HH TYR A 29 26.618 -11.939 9.739 1.00 15.41 H new ATOM 448 N LYS A 30 23.380 -5.348 13.642 1.00 31.12 N ATOM 449 CA LYS A 30 22.715 -4.057 13.762 1.00 20.13 C ATOM 450 C LYS A 30 22.447 -3.453 12.387 1.00 3.12 C ATOM 451 O LYS A 30 22.631 -4.111 11.362 1.00 2.51 O ATOM 452 CB LYS A 30 23.566 -3.096 14.595 1.00 72.10 C ATOM 453 CG LYS A 30 22.781 -2.363 15.669 1.00 1.20 C ATOM 454 CD LYS A 30 23.174 -0.897 15.743 1.00 60.41 C ATOM 455 CE LYS A 30 24.459 -0.704 16.533 1.00 43.03 C ATOM 456 NZ LYS A 30 24.191 -0.463 17.978 1.00 53.14 N ATOM 0 H LYS A 30 23.997 -5.430 12.834 1.00 31.12 H new ATOM 0 HA LYS A 30 21.760 -4.214 14.263 1.00 20.13 H new ATOM 0 HB2 LYS A 30 24.375 -3.655 15.066 1.00 72.10 H new ATOM 0 HB3 LYS A 30 24.028 -2.365 13.932 1.00 72.10 H new ATOM 0 HG2 LYS A 30 21.714 -2.445 15.461 1.00 1.20 H new ATOM 0 HG3 LYS A 30 22.955 -2.837 16.635 1.00 1.20 H new ATOM 0 HD2 LYS A 30 23.302 -0.502 14.735 1.00 60.41 H new ATOM 0 HD3 LYS A 30 22.370 -0.327 16.209 1.00 60.41 H new ATOM 0 HE2 LYS A 30 25.089 -1.587 16.423 1.00 43.03 H new ATOM 0 HE3 LYS A 30 25.015 0.138 16.121 1.00 43.03 H new ATOM 0 HZ1 LYS A 30 25.092 -0.336 18.482 1.00 53.14 H new ATOM 0 HZ2 LYS A 30 23.611 0.394 18.085 1.00 53.14 H new ATOM 0 HZ3 LYS A 30 23.683 -1.278 18.377 1.00 53.14 H new ATOM 470 N LEU A 31 22.013 -2.197 12.372 1.00 20.13 N ATOM 471 CA LEU A 31 21.721 -1.504 11.122 1.00 41.42 C ATOM 472 C LEU A 31 23.008 -1.128 10.395 1.00 42.01 C ATOM 473 O LEU A 31 23.049 -1.084 9.165 1.00 64.21 O ATOM 474 CB LEU A 31 20.891 -0.248 11.394 1.00 73.32 C ATOM 475 CG LEU A 31 19.520 -0.475 12.034 1.00 71.21 C ATOM 476 CD1 LEU A 31 18.976 0.824 12.605 1.00 24.25 C ATOM 477 CD2 LEU A 31 18.550 -1.064 11.020 1.00 23.05 C ATOM 0 H LEU A 31 21.856 -1.638 13.211 1.00 20.13 H new ATOM 0 HA LEU A 31 21.149 -2.180 10.486 1.00 41.42 H new ATOM 0 HB2 LEU A 31 21.468 0.411 12.043 1.00 73.32 H new ATOM 0 HB3 LEU A 31 20.747 0.279 10.451 1.00 73.32 H new ATOM 0 HG LEU A 31 19.635 -1.186 12.852 1.00 71.21 H new ATOM 0 HD11 LEU A 31 18.000 0.643 13.056 1.00 24.25 H new ATOM 0 HD12 LEU A 31 19.661 1.203 13.363 1.00 24.25 H new ATOM 0 HD13 LEU A 31 18.876 1.559 11.806 1.00 24.25 H new ATOM 0 HD21 LEU A 31 17.580 -1.219 11.492 1.00 23.05 H new ATOM 0 HD22 LEU A 31 18.440 -0.377 10.181 1.00 23.05 H new ATOM 0 HD23 LEU A 31 18.935 -2.018 10.660 1.00 23.05 H new ATOM 489 N LYS A 32 24.058 -0.859 11.163 1.00 3.21 N ATOM 490 CA LYS A 32 25.349 -0.490 10.593 1.00 34.30 C ATOM 491 C LYS A 32 25.786 -1.501 9.538 1.00 63.04 C ATOM 492 O LYS A 32 26.389 -1.137 8.527 1.00 53.11 O ATOM 493 CB LYS A 32 26.407 -0.395 11.694 1.00 73.03 C ATOM 494 CG LYS A 32 26.588 1.008 12.246 1.00 62.11 C ATOM 495 CD LYS A 32 27.545 1.024 13.426 1.00 2.33 C ATOM 496 CE LYS A 32 27.341 2.259 14.291 1.00 71.01 C ATOM 497 NZ LYS A 32 28.629 2.942 14.595 1.00 21.24 N ATOM 0 H LYS A 32 24.041 -0.890 12.182 1.00 3.21 H new ATOM 0 HA LYS A 32 25.243 0.484 10.115 1.00 34.30 H new ATOM 0 HB2 LYS A 32 26.132 -1.064 12.509 1.00 73.03 H new ATOM 0 HB3 LYS A 32 27.361 -0.747 11.301 1.00 73.03 H new ATOM 0 HG2 LYS A 32 26.966 1.663 11.461 1.00 62.11 H new ATOM 0 HG3 LYS A 32 25.621 1.406 12.555 1.00 62.11 H new ATOM 0 HD2 LYS A 32 27.397 0.128 14.028 1.00 2.33 H new ATOM 0 HD3 LYS A 32 28.573 0.998 13.063 1.00 2.33 H new ATOM 0 HE2 LYS A 32 26.673 2.953 13.781 1.00 71.01 H new ATOM 0 HE3 LYS A 32 26.853 1.973 15.223 1.00 71.01 H new ATOM 0 HZ1 LYS A 32 28.447 3.778 15.186 1.00 21.24 H new ATOM 0 HZ2 LYS A 32 29.257 2.288 15.104 1.00 21.24 H new ATOM 0 HZ3 LYS A 32 29.083 3.238 13.707 1.00 21.24 H new ATOM 511 N HIS A 33 25.479 -2.771 9.779 1.00 53.22 N ATOM 512 CA HIS A 33 25.839 -3.836 8.847 1.00 64.23 C ATOM 513 C HIS A 33 24.920 -3.825 7.629 1.00 21.40 C ATOM 514 O HIS A 33 25.428 -4.075 6.536 1.00 22.24 O ATOM 515 CB HIS A 33 25.767 -5.196 9.542 1.00 13.44 C ATOM 516 CG HIS A 33 26.416 -5.214 10.892 1.00 54.34 C ATOM 517 ND1 HIS A 33 25.798 -5.717 12.017 1.00 53.10 N ATOM 518 CD2 HIS A 33 27.637 -4.789 11.293 1.00 31.11 C ATOM 519 CE1 HIS A 33 26.611 -5.600 13.052 1.00 23.52 C ATOM 520 NE2 HIS A 33 27.733 -5.039 12.639 1.00 71.25 N ATOM 0 H HIS A 33 24.982 -3.089 10.611 1.00 53.22 H new ATOM 0 HA HIS A 33 26.861 -3.661 8.511 1.00 64.23 H new ATOM 0 HB2 HIS A 33 24.722 -5.486 9.647 1.00 13.44 H new ATOM 0 HB3 HIS A 33 26.244 -5.944 8.909 1.00 13.44 H new ATOM 0 HD2 HIS A 33 28.395 -4.337 10.670 1.00 31.11 H new ATOM 0 HE1 HIS A 33 26.395 -5.910 14.064 1.00 23.52 H new ATOM 0 HE2 HIS A 33 28.540 -4.826 13.225 1.00 71.25 H new ATOM 528 N ILE A 34 23.629 -3.551 7.783 1.00 14.44 N ATOM 529 CA ILE A 34 22.713 -3.529 6.648 1.00 45.01 C ATOM 530 C ILE A 34 23.093 -2.432 5.658 1.00 72.41 C ATOM 531 O ILE A 34 22.977 -2.609 4.445 1.00 64.51 O ATOM 532 CB ILE A 34 21.258 -3.312 7.103 1.00 71.45 C ATOM 533 CG1 ILE A 34 20.881 -4.329 8.184 1.00 44.14 C ATOM 534 CG2 ILE A 34 20.311 -3.416 5.918 1.00 11.22 C ATOM 535 CD1 ILE A 34 19.472 -4.163 8.705 1.00 45.01 C ATOM 0 H ILE A 34 23.194 -3.341 8.681 1.00 14.44 H new ATOM 0 HA ILE A 34 22.791 -4.500 6.160 1.00 45.01 H new ATOM 0 HB ILE A 34 21.171 -2.311 7.526 1.00 71.45 H new ATOM 0 HG12 ILE A 34 20.994 -5.335 7.780 1.00 44.14 H new ATOM 0 HG13 ILE A 34 21.580 -4.239 9.016 1.00 44.14 H new ATOM 0 HG21 ILE A 34 19.287 -3.260 6.256 1.00 11.22 H new ATOM 0 HG22 ILE A 34 20.568 -2.657 5.179 1.00 11.22 H new ATOM 0 HG23 ILE A 34 20.398 -4.405 5.468 1.00 11.22 H new ATOM 0 HD11 ILE A 34 19.275 -4.917 9.467 1.00 45.01 H new ATOM 0 HD12 ILE A 34 19.359 -3.170 9.139 1.00 45.01 H new ATOM 0 HD13 ILE A 34 18.764 -4.283 7.885 1.00 45.01 H new ATOM 547 N VAL A 35 23.549 -1.300 6.184 1.00 25.42 N ATOM 548 CA VAL A 35 23.948 -0.175 5.347 1.00 5.31 C ATOM 549 C VAL A 35 25.379 -0.342 4.848 1.00 70.24 C ATOM 550 O VAL A 35 25.697 0.008 3.713 1.00 3.43 O ATOM 551 CB VAL A 35 23.833 1.159 6.107 1.00 24.14 C ATOM 552 CG1 VAL A 35 24.288 2.315 5.229 1.00 3.43 C ATOM 553 CG2 VAL A 35 22.407 1.376 6.589 1.00 30.43 C ATOM 0 H VAL A 35 23.651 -1.138 7.186 1.00 25.42 H new ATOM 0 HA VAL A 35 23.269 -0.158 4.495 1.00 5.31 H new ATOM 0 HB VAL A 35 24.485 1.117 6.979 1.00 24.14 H new ATOM 0 HG11 VAL A 35 24.200 3.249 5.783 1.00 3.43 H new ATOM 0 HG12 VAL A 35 25.327 2.163 4.937 1.00 3.43 H new ATOM 0 HG13 VAL A 35 23.664 2.362 4.337 1.00 3.43 H new ATOM 0 HG21 VAL A 35 22.344 2.324 7.124 1.00 30.43 H new ATOM 0 HG22 VAL A 35 21.733 1.397 5.733 1.00 30.43 H new ATOM 0 HG23 VAL A 35 22.121 0.563 7.256 1.00 30.43 H new ATOM 563 N TRP A 36 26.239 -0.879 5.707 1.00 20.05 N ATOM 564 CA TRP A 36 27.638 -1.093 5.353 1.00 74.44 C ATOM 565 C TRP A 36 27.758 -1.953 4.101 1.00 2.44 C ATOM 566 O TRP A 36 28.692 -1.795 3.315 1.00 65.24 O ATOM 567 CB TRP A 36 28.383 -1.755 6.515 1.00 14.11 C ATOM 568 CG TRP A 36 29.788 -2.147 6.173 1.00 10.31 C ATOM 569 CD1 TRP A 36 30.929 -1.466 6.489 1.00 51.12 C ATOM 570 CD2 TRP A 36 30.201 -3.310 5.446 1.00 62.02 C ATOM 571 NE1 TRP A 36 32.026 -2.135 6.003 1.00 14.03 N ATOM 572 CE2 TRP A 36 31.606 -3.270 5.360 1.00 51.44 C ATOM 573 CE3 TRP A 36 29.521 -4.382 4.862 1.00 23.41 C ATOM 574 CZ2 TRP A 36 32.341 -4.260 4.713 1.00 60.23 C ATOM 575 CZ3 TRP A 36 30.251 -5.364 4.220 1.00 41.23 C ATOM 576 CH2 TRP A 36 31.649 -5.298 4.150 1.00 41.52 C ATOM 0 H TRP A 36 25.993 -1.174 6.652 1.00 20.05 H new ATOM 0 HA TRP A 36 28.088 -0.122 5.147 1.00 74.44 H new ATOM 0 HB2 TRP A 36 28.401 -1.070 7.363 1.00 14.11 H new ATOM 0 HB3 TRP A 36 27.833 -2.641 6.832 1.00 14.11 H new ATOM 0 HD1 TRP A 36 30.964 -0.538 7.040 1.00 51.12 H new ATOM 0 HE1 TRP A 36 32.996 -1.836 6.104 1.00 14.03 H new ATOM 0 HE3 TRP A 36 28.444 -4.442 4.912 1.00 23.41 H new ATOM 0 HZ2 TRP A 36 33.418 -4.211 4.657 1.00 60.23 H new ATOM 0 HZ3 TRP A 36 29.735 -6.196 3.764 1.00 41.23 H new ATOM 0 HH2 TRP A 36 32.191 -6.082 3.642 1.00 41.52 H new ATOM 587 N ALA A 37 26.806 -2.863 3.919 1.00 41.50 N ATOM 588 CA ALA A 37 26.804 -3.746 2.759 1.00 63.34 C ATOM 589 C ALA A 37 26.267 -3.030 1.525 1.00 0.34 C ATOM 590 O ALA A 37 26.695 -3.301 0.403 1.00 0.01 O ATOM 591 CB ALA A 37 25.983 -4.994 3.047 1.00 41.15 C ATOM 0 H ALA A 37 26.026 -3.008 4.560 1.00 41.50 H new ATOM 0 HA ALA A 37 27.834 -4.041 2.556 1.00 63.34 H new ATOM 0 HB1 ALA A 37 25.990 -5.644 2.172 1.00 41.15 H new ATOM 0 HB2 ALA A 37 26.413 -5.524 3.897 1.00 41.15 H new ATOM 0 HB3 ALA A 37 24.957 -4.709 3.279 1.00 41.15 H new ATOM 597 N SER A 38 25.326 -2.115 1.739 1.00 43.41 N ATOM 598 CA SER A 38 24.728 -1.363 0.643 1.00 21.53 C ATOM 599 C SER A 38 25.756 -0.444 -0.011 1.00 73.23 C ATOM 600 O SER A 38 25.822 -0.342 -1.236 1.00 13.54 O ATOM 601 CB SER A 38 23.541 -0.541 1.149 1.00 61.32 C ATOM 602 OG SER A 38 22.398 -1.356 1.334 1.00 73.53 O ATOM 0 H SER A 38 24.962 -1.877 2.662 1.00 43.41 H new ATOM 0 HA SER A 38 24.376 -2.075 -0.104 1.00 21.53 H new ATOM 0 HB2 SER A 38 23.804 -0.059 2.091 1.00 61.32 H new ATOM 0 HB3 SER A 38 23.314 0.252 0.437 1.00 61.32 H new ATOM 0 HG SER A 38 21.654 -0.807 1.659 1.00 73.53 H new ATOM 608 N ARG A 39 26.555 0.222 0.816 1.00 1.52 N ATOM 609 CA ARG A 39 27.579 1.134 0.318 1.00 73.34 C ATOM 610 C ARG A 39 28.680 0.369 -0.409 1.00 53.42 C ATOM 611 O ARG A 39 29.325 0.900 -1.313 1.00 60.45 O ATOM 612 CB ARG A 39 28.179 1.939 1.472 1.00 61.54 C ATOM 613 CG ARG A 39 27.283 3.066 1.958 1.00 21.32 C ATOM 614 CD ARG A 39 28.059 4.076 2.791 1.00 51.51 C ATOM 615 NE ARG A 39 27.175 4.976 3.525 1.00 14.02 N ATOM 616 CZ ARG A 39 26.538 5.999 2.965 1.00 72.30 C ATOM 617 NH1 ARG A 39 26.686 6.249 1.671 1.00 51.41 N ATOM 618 NH2 ARG A 39 25.749 6.773 3.699 1.00 43.42 N ATOM 0 H ARG A 39 26.514 0.148 1.832 1.00 1.52 H new ATOM 0 HA ARG A 39 27.109 1.819 -0.388 1.00 73.34 H new ATOM 0 HB2 ARG A 39 28.386 1.266 2.304 1.00 61.54 H new ATOM 0 HB3 ARG A 39 29.134 2.357 1.154 1.00 61.54 H new ATOM 0 HG2 ARG A 39 26.832 3.568 1.102 1.00 21.32 H new ATOM 0 HG3 ARG A 39 26.467 2.653 2.552 1.00 21.32 H new ATOM 0 HD2 ARG A 39 28.703 3.547 3.494 1.00 51.51 H new ATOM 0 HD3 ARG A 39 28.710 4.659 2.139 1.00 51.51 H new ATOM 0 HE ARG A 39 27.039 4.811 4.522 1.00 14.02 H new ATOM 0 HH11 ARG A 39 27.290 5.655 1.103 1.00 51.41 H new ATOM 0 HH12 ARG A 39 26.196 7.035 1.244 1.00 51.41 H new ATOM 0 HH21 ARG A 39 25.631 6.583 4.694 1.00 43.42 H new ATOM 0 HH22 ARG A 39 25.261 7.558 3.268 1.00 43.42 H new ATOM 632 N GLU A 40 28.891 -0.881 -0.008 1.00 61.23 N ATOM 633 CA GLU A 40 29.915 -1.718 -0.620 1.00 41.40 C ATOM 634 C GLU A 40 29.373 -2.423 -1.860 1.00 12.04 C ATOM 635 O GLU A 40 30.126 -2.773 -2.770 1.00 63.30 O ATOM 636 CB GLU A 40 30.430 -2.751 0.384 1.00 24.32 C ATOM 637 CG GLU A 40 31.916 -3.038 0.255 1.00 41.31 C ATOM 638 CD GLU A 40 32.645 -2.950 1.581 1.00 24.30 C ATOM 639 OE1 GLU A 40 32.392 -1.987 2.335 1.00 72.23 O ATOM 640 OE2 GLU A 40 33.468 -3.845 1.866 1.00 41.22 O ATOM 0 H GLU A 40 28.366 -1.336 0.739 1.00 61.23 H new ATOM 0 HA GLU A 40 30.741 -1.074 -0.922 1.00 41.40 H new ATOM 0 HB2 GLU A 40 30.223 -2.398 1.394 1.00 24.32 H new ATOM 0 HB3 GLU A 40 29.876 -3.681 0.252 1.00 24.32 H new ATOM 0 HG2 GLU A 40 32.055 -4.034 -0.166 1.00 41.31 H new ATOM 0 HG3 GLU A 40 32.359 -2.331 -0.446 1.00 41.31 H new ATOM 647 N LEU A 41 28.060 -2.630 -1.888 1.00 12.43 N ATOM 648 CA LEU A 41 27.415 -3.294 -3.015 1.00 54.13 C ATOM 649 C LEU A 41 27.434 -2.407 -4.254 1.00 1.44 C ATOM 650 O LEU A 41 27.832 -2.841 -5.335 1.00 63.44 O ATOM 651 CB LEU A 41 25.973 -3.661 -2.658 1.00 13.42 C ATOM 652 CG LEU A 41 25.748 -5.087 -2.154 1.00 5.13 C ATOM 653 CD1 LEU A 41 24.287 -5.299 -1.790 1.00 75.22 C ATOM 654 CD2 LEU A 41 26.191 -6.099 -3.200 1.00 63.23 C ATOM 0 H LEU A 41 27.422 -2.348 -1.144 1.00 12.43 H new ATOM 0 HA LEU A 41 27.972 -4.205 -3.235 1.00 54.13 H new ATOM 0 HB2 LEU A 41 25.621 -2.967 -1.894 1.00 13.42 H new ATOM 0 HB3 LEU A 41 25.351 -3.506 -3.540 1.00 13.42 H new ATOM 0 HG LEU A 41 26.350 -5.234 -1.258 1.00 5.13 H new ATOM 0 HD11 LEU A 41 24.145 -6.319 -1.433 1.00 75.22 H new ATOM 0 HD12 LEU A 41 24.002 -4.598 -1.006 1.00 75.22 H new ATOM 0 HD13 LEU A 41 23.665 -5.132 -2.670 1.00 75.22 H new ATOM 0 HD21 LEU A 41 26.023 -7.108 -2.824 1.00 63.23 H new ATOM 0 HD22 LEU A 41 25.616 -5.952 -4.114 1.00 63.23 H new ATOM 0 HD23 LEU A 41 27.251 -5.962 -3.412 1.00 63.23 H new ATOM 666 N GLU A 42 27.004 -1.159 -4.090 1.00 72.52 N ATOM 667 CA GLU A 42 26.973 -0.210 -5.196 1.00 34.21 C ATOM 668 C GLU A 42 28.350 -0.083 -5.841 1.00 22.13 C ATOM 669 O GLU A 42 28.467 0.253 -7.020 1.00 31.33 O ATOM 670 CB GLU A 42 26.497 1.160 -4.710 1.00 61.50 C ATOM 671 CG GLU A 42 25.104 1.527 -5.192 1.00 30.21 C ATOM 672 CD GLU A 42 25.082 2.823 -5.980 1.00 70.13 C ATOM 673 OE1 GLU A 42 25.512 3.859 -5.431 1.00 14.13 O ATOM 674 OE2 GLU A 42 24.636 2.800 -7.146 1.00 53.12 O ATOM 0 H GLU A 42 26.673 -0.783 -3.202 1.00 72.52 H new ATOM 0 HA GLU A 42 26.273 -0.585 -5.943 1.00 34.21 H new ATOM 0 HB2 GLU A 42 26.511 1.174 -3.620 1.00 61.50 H new ATOM 0 HB3 GLU A 42 27.201 1.921 -5.048 1.00 61.50 H new ATOM 0 HG2 GLU A 42 24.715 0.721 -5.814 1.00 30.21 H new ATOM 0 HG3 GLU A 42 24.438 1.617 -4.334 1.00 30.21 H new ATOM 681 N ARG A 43 29.391 -0.351 -5.060 1.00 73.42 N ATOM 682 CA ARG A 43 30.760 -0.265 -5.553 1.00 12.02 C ATOM 683 C ARG A 43 31.060 -1.404 -6.524 1.00 71.34 C ATOM 684 O ARG A 43 31.900 -1.269 -7.414 1.00 62.11 O ATOM 685 CB ARG A 43 31.748 -0.301 -4.387 1.00 32.30 C ATOM 686 CG ARG A 43 32.560 0.976 -4.237 1.00 61.02 C ATOM 687 CD ARG A 43 31.824 2.008 -3.397 1.00 4.43 C ATOM 688 NE ARG A 43 32.191 1.929 -1.987 1.00 62.05 N ATOM 689 CZ ARG A 43 31.769 2.791 -1.068 1.00 42.24 C ATOM 690 NH1 ARG A 43 30.970 3.791 -1.411 1.00 62.42 N ATOM 691 NH2 ARG A 43 32.146 2.653 0.197 1.00 42.45 N ATOM 0 H ARG A 43 29.312 -0.630 -4.082 1.00 73.42 H new ATOM 0 HA ARG A 43 30.870 0.681 -6.084 1.00 12.02 H new ATOM 0 HB2 ARG A 43 31.200 -0.484 -3.463 1.00 32.30 H new ATOM 0 HB3 ARG A 43 32.429 -1.141 -4.525 1.00 32.30 H new ATOM 0 HG2 ARG A 43 33.520 0.746 -3.774 1.00 61.02 H new ATOM 0 HG3 ARG A 43 32.772 1.391 -5.222 1.00 61.02 H new ATOM 0 HD2 ARG A 43 32.046 3.007 -3.774 1.00 4.43 H new ATOM 0 HD3 ARG A 43 30.749 1.860 -3.501 1.00 4.43 H new ATOM 0 HE ARG A 43 32.805 1.171 -1.691 1.00 62.05 H new ATOM 0 HH11 ARG A 43 30.678 3.900 -2.382 1.00 62.42 H new ATOM 0 HH12 ARG A 43 30.647 4.451 -0.704 1.00 62.42 H new ATOM 0 HH21 ARG A 43 32.761 1.884 0.465 1.00 42.45 H new ATOM 0 HH22 ARG A 43 31.821 3.316 0.901 1.00 42.45 H new ATOM 705 N PHE A 44 30.370 -2.526 -6.345 1.00 25.34 N ATOM 706 CA PHE A 44 30.564 -3.688 -7.203 1.00 13.14 C ATOM 707 C PHE A 44 29.530 -3.715 -8.325 1.00 31.24 C ATOM 708 O PHE A 44 29.192 -4.777 -8.848 1.00 62.14 O ATOM 709 CB PHE A 44 30.475 -4.976 -6.382 1.00 64.35 C ATOM 710 CG PHE A 44 31.762 -5.340 -5.699 1.00 54.22 C ATOM 711 CD1 PHE A 44 32.918 -5.548 -6.435 1.00 72.32 C ATOM 712 CD2 PHE A 44 31.817 -5.476 -4.321 1.00 72.11 C ATOM 713 CE1 PHE A 44 34.104 -5.884 -5.809 1.00 1.15 C ATOM 714 CE2 PHE A 44 33.000 -5.811 -3.690 1.00 10.23 C ATOM 715 CZ PHE A 44 34.145 -6.016 -4.435 1.00 12.34 C ATOM 0 H PHE A 44 29.671 -2.654 -5.613 1.00 25.34 H new ATOM 0 HA PHE A 44 31.556 -3.617 -7.648 1.00 13.14 H new ATOM 0 HB2 PHE A 44 29.693 -4.866 -5.631 1.00 64.35 H new ATOM 0 HB3 PHE A 44 30.176 -5.795 -7.036 1.00 64.35 H new ATOM 0 HD1 PHE A 44 32.892 -5.446 -7.510 1.00 72.32 H new ATOM 0 HD2 PHE A 44 30.925 -5.318 -3.733 1.00 72.11 H new ATOM 0 HE1 PHE A 44 34.998 -6.043 -6.394 1.00 1.15 H new ATOM 0 HE2 PHE A 44 33.029 -5.912 -2.615 1.00 10.23 H new ATOM 0 HZ PHE A 44 35.070 -6.279 -3.944 1.00 12.34 H new ATOM 725 N ALA A 45 29.029 -2.538 -8.689 1.00 73.55 N ATOM 726 CA ALA A 45 28.035 -2.426 -9.748 1.00 30.23 C ATOM 727 C ALA A 45 26.740 -3.135 -9.363 1.00 43.32 C ATOM 728 O ALA A 45 25.941 -3.500 -10.225 1.00 24.01 O ATOM 729 CB ALA A 45 28.583 -2.994 -11.049 1.00 41.11 C ATOM 0 H ALA A 45 29.296 -1.649 -8.265 1.00 73.55 H new ATOM 0 HA ALA A 45 27.811 -1.369 -9.892 1.00 30.23 H new ATOM 0 HB1 ALA A 45 27.829 -2.904 -11.831 1.00 41.11 H new ATOM 0 HB2 ALA A 45 29.476 -2.441 -11.340 1.00 41.11 H new ATOM 0 HB3 ALA A 45 28.836 -4.045 -10.909 1.00 41.11 H new ATOM 735 N VAL A 46 26.540 -3.327 -8.063 1.00 33.22 N ATOM 736 CA VAL A 46 25.342 -3.992 -7.564 1.00 3.20 C ATOM 737 C VAL A 46 24.529 -3.061 -6.671 1.00 0.50 C ATOM 738 O VAL A 46 25.003 -2.618 -5.626 1.00 4.02 O ATOM 739 CB VAL A 46 25.695 -5.265 -6.774 1.00 71.10 C ATOM 740 CG1 VAL A 46 24.436 -5.920 -6.227 1.00 2.11 C ATOM 741 CG2 VAL A 46 26.473 -6.236 -7.649 1.00 62.15 C ATOM 0 H VAL A 46 27.192 -3.032 -7.336 1.00 33.22 H new ATOM 0 HA VAL A 46 24.746 -4.268 -8.434 1.00 3.20 H new ATOM 0 HB VAL A 46 26.326 -4.985 -5.931 1.00 71.10 H new ATOM 0 HG11 VAL A 46 24.705 -6.818 -5.671 1.00 2.11 H new ATOM 0 HG12 VAL A 46 23.922 -5.224 -5.564 1.00 2.11 H new ATOM 0 HG13 VAL A 46 23.777 -6.188 -7.053 1.00 2.11 H new ATOM 0 HG21 VAL A 46 26.714 -7.130 -7.074 1.00 62.15 H new ATOM 0 HG22 VAL A 46 25.868 -6.512 -8.513 1.00 62.15 H new ATOM 0 HG23 VAL A 46 27.395 -5.763 -7.987 1.00 62.15 H new ATOM 751 N ASN A 47 23.302 -2.771 -7.090 1.00 23.04 N ATOM 752 CA ASN A 47 22.422 -1.892 -6.328 1.00 73.32 C ATOM 753 C ASN A 47 22.097 -2.497 -4.965 1.00 54.21 C ATOM 754 O ASN A 47 21.950 -3.710 -4.816 1.00 53.30 O ATOM 755 CB ASN A 47 21.130 -1.631 -7.104 1.00 75.11 C ATOM 756 CG ASN A 47 21.378 -1.419 -8.585 1.00 35.45 C ATOM 757 OD1 ASN A 47 21.827 -0.353 -9.004 1.00 21.40 O ATOM 758 ND2 ASN A 47 21.084 -2.438 -9.386 1.00 44.54 N ATOM 0 H ASN A 47 22.894 -3.131 -7.953 1.00 23.04 H new ATOM 0 HA ASN A 47 22.941 -0.946 -6.172 1.00 73.32 H new ATOM 0 HB2 ASN A 47 20.452 -2.474 -6.969 1.00 75.11 H new ATOM 0 HB3 ASN A 47 20.633 -0.753 -6.692 1.00 75.11 H new ATOM 0 HD21 ASN A 47 21.229 -2.354 -10.392 1.00 44.54 H new ATOM 0 HD22 ASN A 47 20.714 -3.304 -8.995 1.00 44.54 H new ATOM 765 N PRO A 48 21.981 -1.633 -3.947 1.00 63.13 N ATOM 766 CA PRO A 48 21.671 -2.059 -2.578 1.00 4.11 C ATOM 767 C PRO A 48 20.240 -2.565 -2.439 1.00 73.01 C ATOM 768 O PRO A 48 19.883 -3.178 -1.434 1.00 23.15 O ATOM 769 CB PRO A 48 21.869 -0.782 -1.756 1.00 33.12 C ATOM 770 CG PRO A 48 21.648 0.330 -2.724 1.00 53.12 C ATOM 771 CD PRO A 48 22.144 -0.173 -4.051 1.00 2.32 C ATOM 0 HA PRO A 48 22.299 -2.890 -2.258 1.00 4.11 H new ATOM 0 HB2 PRO A 48 21.163 -0.731 -0.927 1.00 33.12 H new ATOM 0 HB3 PRO A 48 22.870 -0.739 -1.326 1.00 33.12 H new ATOM 0 HG2 PRO A 48 20.593 0.597 -2.777 1.00 53.12 H new ATOM 0 HG3 PRO A 48 22.189 1.226 -2.419 1.00 53.12 H new ATOM 0 HD2 PRO A 48 21.565 0.238 -4.878 1.00 2.32 H new ATOM 0 HD3 PRO A 48 23.184 0.104 -4.222 1.00 2.32 H new ATOM 779 N GLY A 49 19.423 -2.306 -3.457 1.00 42.33 N ATOM 780 CA GLY A 49 18.040 -2.743 -3.428 1.00 70.21 C ATOM 781 C GLY A 49 17.908 -4.252 -3.500 1.00 12.33 C ATOM 782 O GLY A 49 16.815 -4.795 -3.332 1.00 12.11 O ATOM 0 H GLY A 49 19.695 -1.801 -4.301 1.00 42.33 H new ATOM 0 HA2 GLY A 49 17.567 -2.383 -2.514 1.00 70.21 H new ATOM 0 HA3 GLY A 49 17.502 -2.294 -4.263 1.00 70.21 H new ATOM 786 N LEU A 50 19.021 -4.930 -3.753 1.00 63.24 N ATOM 787 CA LEU A 50 19.025 -6.386 -3.849 1.00 34.14 C ATOM 788 C LEU A 50 19.015 -7.023 -2.463 1.00 15.43 C ATOM 789 O LEU A 50 18.609 -8.175 -2.302 1.00 63.23 O ATOM 790 CB LEU A 50 20.249 -6.862 -4.633 1.00 10.32 C ATOM 791 CG LEU A 50 20.311 -6.440 -6.102 1.00 32.24 C ATOM 792 CD1 LEU A 50 21.508 -7.078 -6.790 1.00 43.20 C ATOM 793 CD2 LEU A 50 19.021 -6.811 -6.819 1.00 72.25 C ATOM 0 H LEU A 50 19.933 -4.496 -3.896 1.00 63.24 H new ATOM 0 HA LEU A 50 18.122 -6.693 -4.376 1.00 34.14 H new ATOM 0 HB2 LEU A 50 21.143 -6.492 -4.131 1.00 10.32 H new ATOM 0 HB3 LEU A 50 20.285 -7.950 -4.587 1.00 10.32 H new ATOM 0 HG LEU A 50 20.428 -5.357 -6.144 1.00 32.24 H new ATOM 0 HD11 LEU A 50 21.536 -6.767 -7.834 1.00 43.20 H new ATOM 0 HD12 LEU A 50 22.425 -6.762 -6.292 1.00 43.20 H new ATOM 0 HD13 LEU A 50 21.422 -8.163 -6.737 1.00 43.20 H new ATOM 0 HD21 LEU A 50 19.083 -6.503 -7.863 1.00 72.25 H new ATOM 0 HD22 LEU A 50 18.873 -7.890 -6.767 1.00 72.25 H new ATOM 0 HD23 LEU A 50 18.181 -6.306 -6.341 1.00 72.25 H new ATOM 805 N LEU A 51 19.462 -6.268 -1.467 1.00 30.13 N ATOM 806 CA LEU A 51 19.502 -6.757 -0.094 1.00 75.42 C ATOM 807 C LEU A 51 18.119 -6.700 0.545 1.00 74.33 C ATOM 808 O LEU A 51 17.853 -7.386 1.533 1.00 32.35 O ATOM 809 CB LEU A 51 20.494 -5.936 0.732 1.00 34.50 C ATOM 810 CG LEU A 51 21.974 -6.181 0.442 1.00 11.21 C ATOM 811 CD1 LEU A 51 22.827 -5.077 1.050 1.00 1.22 C ATOM 812 CD2 LEU A 51 22.404 -7.541 0.971 1.00 63.04 C ATOM 0 H LEU A 51 19.802 -5.314 -1.584 1.00 30.13 H new ATOM 0 HA LEU A 51 19.829 -7.797 -0.114 1.00 75.42 H new ATOM 0 HB2 LEU A 51 20.283 -4.879 0.570 1.00 34.50 H new ATOM 0 HB3 LEU A 51 20.313 -6.139 1.787 1.00 34.50 H new ATOM 0 HG LEU A 51 22.119 -6.172 -0.638 1.00 11.21 H new ATOM 0 HD11 LEU A 51 23.878 -5.268 0.833 1.00 1.22 H new ATOM 0 HD12 LEU A 51 22.537 -4.117 0.623 1.00 1.22 H new ATOM 0 HD13 LEU A 51 22.677 -5.054 2.129 1.00 1.22 H new ATOM 0 HD21 LEU A 51 23.461 -7.698 0.755 1.00 63.04 H new ATOM 0 HD22 LEU A 51 22.244 -7.579 2.049 1.00 63.04 H new ATOM 0 HD23 LEU A 51 21.816 -8.322 0.489 1.00 63.04 H new ATOM 824 N GLU A 52 17.242 -5.880 -0.025 1.00 3.03 N ATOM 825 CA GLU A 52 15.885 -5.736 0.490 1.00 24.11 C ATOM 826 C GLU A 52 14.918 -6.646 -0.261 1.00 52.22 C ATOM 827 O GLU A 52 13.712 -6.399 -0.294 1.00 53.43 O ATOM 828 CB GLU A 52 15.425 -4.281 0.375 1.00 61.11 C ATOM 829 CG GLU A 52 15.331 -3.783 -1.057 1.00 41.13 C ATOM 830 CD GLU A 52 14.181 -2.816 -1.265 1.00 74.33 C ATOM 831 OE1 GLU A 52 14.356 -1.615 -0.972 1.00 51.31 O ATOM 832 OE2 GLU A 52 13.107 -3.260 -1.720 1.00 53.23 O ATOM 0 H GLU A 52 17.446 -5.306 -0.843 1.00 3.03 H new ATOM 0 HA GLU A 52 15.890 -6.028 1.540 1.00 24.11 H new ATOM 0 HB2 GLU A 52 14.450 -4.179 0.851 1.00 61.11 H new ATOM 0 HB3 GLU A 52 16.117 -3.645 0.927 1.00 61.11 H new ATOM 0 HG2 GLU A 52 16.266 -3.293 -1.329 1.00 41.13 H new ATOM 0 HG3 GLU A 52 15.210 -4.635 -1.727 1.00 41.13 H new ATOM 839 N THR A 53 15.457 -7.702 -0.865 1.00 71.44 N ATOM 840 CA THR A 53 14.643 -8.650 -1.616 1.00 41.42 C ATOM 841 C THR A 53 15.153 -10.075 -1.437 1.00 41.54 C ATOM 842 O THR A 53 16.284 -10.391 -1.808 1.00 53.21 O ATOM 843 CB THR A 53 14.626 -8.307 -3.118 1.00 42.54 C ATOM 844 OG1 THR A 53 14.064 -9.394 -3.862 1.00 64.12 O ATOM 845 CG2 THR A 53 16.032 -8.014 -3.622 1.00 15.41 C ATOM 0 H THR A 53 16.453 -7.921 -0.848 1.00 71.44 H new ATOM 0 HA THR A 53 13.629 -8.579 -1.223 1.00 41.42 H new ATOM 0 HB THR A 53 14.014 -7.416 -3.258 1.00 42.54 H new ATOM 0 HG1 THR A 53 14.055 -9.168 -4.816 1.00 64.12 H new ATOM 0 HG21 THR A 53 15.995 -7.774 -4.685 1.00 15.41 H new ATOM 0 HG22 THR A 53 16.446 -7.168 -3.074 1.00 15.41 H new ATOM 0 HG23 THR A 53 16.663 -8.889 -3.469 1.00 15.41 H new ATOM 853 N SER A 54 14.313 -10.933 -0.868 1.00 64.14 N ATOM 854 CA SER A 54 14.681 -12.324 -0.636 1.00 35.44 C ATOM 855 C SER A 54 15.025 -13.020 -1.949 1.00 32.02 C ATOM 856 O SER A 54 15.715 -14.039 -1.961 1.00 12.20 O ATOM 857 CB SER A 54 13.539 -13.066 0.063 1.00 2.20 C ATOM 858 OG SER A 54 12.825 -13.882 -0.851 1.00 44.42 O ATOM 0 H SER A 54 13.372 -10.689 -0.559 1.00 64.14 H new ATOM 0 HA SER A 54 15.562 -12.339 0.006 1.00 35.44 H new ATOM 0 HB2 SER A 54 13.940 -13.682 0.868 1.00 2.20 H new ATOM 0 HB3 SER A 54 12.860 -12.346 0.520 1.00 2.20 H new ATOM 0 HG SER A 54 12.102 -14.346 -0.379 1.00 44.42 H new ATOM 864 N GLU A 55 14.539 -12.461 -3.054 1.00 65.45 N ATOM 865 CA GLU A 55 14.796 -13.028 -4.373 1.00 73.22 C ATOM 866 C GLU A 55 16.085 -12.467 -4.965 1.00 31.30 C ATOM 867 O GLU A 55 16.914 -13.209 -5.490 1.00 21.31 O ATOM 868 CB GLU A 55 13.622 -12.742 -5.311 1.00 2.42 C ATOM 869 CG GLU A 55 12.911 -13.993 -5.797 1.00 32.20 C ATOM 870 CD GLU A 55 13.806 -14.886 -6.635 1.00 63.03 C ATOM 871 OE1 GLU A 55 14.958 -14.486 -6.904 1.00 15.53 O ATOM 872 OE2 GLU A 55 13.354 -15.983 -7.022 1.00 34.32 O ATOM 0 H GLU A 55 13.966 -11.617 -3.062 1.00 65.45 H new ATOM 0 HA GLU A 55 14.909 -14.106 -4.262 1.00 73.22 H new ATOM 0 HB2 GLU A 55 12.904 -12.103 -4.796 1.00 2.42 H new ATOM 0 HB3 GLU A 55 13.985 -12.183 -6.173 1.00 2.42 H new ATOM 0 HG2 GLU A 55 12.545 -14.555 -4.938 1.00 32.20 H new ATOM 0 HG3 GLU A 55 12.039 -13.706 -6.384 1.00 32.20 H new ATOM 879 N GLY A 56 16.246 -11.150 -4.877 1.00 3.42 N ATOM 880 CA GLY A 56 17.435 -10.511 -5.409 1.00 21.21 C ATOM 881 C GLY A 56 18.681 -10.855 -4.618 1.00 62.34 C ATOM 882 O GLY A 56 19.797 -10.551 -5.042 1.00 55.13 O ATOM 0 H GLY A 56 15.574 -10.515 -4.447 1.00 3.42 H new ATOM 0 HA2 GLY A 56 17.572 -10.813 -6.447 1.00 21.21 H new ATOM 0 HA3 GLY A 56 17.294 -9.430 -5.408 1.00 21.21 H new ATOM 886 N CYS A 57 18.492 -11.488 -3.466 1.00 43.23 N ATOM 887 CA CYS A 57 19.611 -11.872 -2.612 1.00 22.30 C ATOM 888 C CYS A 57 20.117 -13.265 -2.972 1.00 24.30 C ATOM 889 O CYS A 57 21.314 -13.542 -2.886 1.00 33.23 O ATOM 890 CB CYS A 57 19.194 -11.832 -1.141 1.00 23.31 C ATOM 891 SG CYS A 57 20.052 -10.576 -0.163 1.00 2.54 S ATOM 0 H CYS A 57 17.575 -11.746 -3.101 1.00 43.23 H new ATOM 0 HA CYS A 57 20.420 -11.159 -2.772 1.00 22.30 H new ATOM 0 HB2 CYS A 57 18.121 -11.651 -1.084 1.00 23.31 H new ATOM 0 HB3 CYS A 57 19.376 -12.810 -0.696 1.00 23.31 H new ATOM 0 HG CYS A 57 19.630 -10.619 1.066 1.00 2.54 H new ATOM 897 N ARG A 58 19.199 -14.137 -3.372 1.00 31.44 N ATOM 898 CA ARG A 58 19.551 -15.503 -3.742 1.00 42.21 C ATOM 899 C ARG A 58 20.552 -15.512 -4.895 1.00 70.34 C ATOM 900 O ARG A 58 21.268 -16.492 -5.097 1.00 11.32 O ATOM 901 CB ARG A 58 18.298 -16.287 -4.135 1.00 44.33 C ATOM 902 CG ARG A 58 17.792 -15.966 -5.532 1.00 33.41 C ATOM 903 CD ARG A 58 18.137 -17.072 -6.517 1.00 13.20 C ATOM 904 NE ARG A 58 17.379 -18.293 -6.258 1.00 54.54 N ATOM 905 CZ ARG A 58 17.622 -19.451 -6.863 1.00 61.11 C ATOM 906 NH1 ARG A 58 18.597 -19.544 -7.756 1.00 12.45 N ATOM 907 NH2 ARG A 58 16.888 -20.519 -6.574 1.00 45.22 N ATOM 0 H ARG A 58 18.205 -13.923 -3.449 1.00 31.44 H new ATOM 0 HA ARG A 58 20.013 -15.980 -2.877 1.00 42.21 H new ATOM 0 HB2 ARG A 58 18.512 -17.354 -4.072 1.00 44.33 H new ATOM 0 HB3 ARG A 58 17.508 -16.077 -3.414 1.00 44.33 H new ATOM 0 HG2 ARG A 58 16.711 -15.825 -5.505 1.00 33.41 H new ATOM 0 HG3 ARG A 58 18.228 -15.026 -5.871 1.00 33.41 H new ATOM 0 HD2 ARG A 58 17.936 -16.729 -7.532 1.00 13.20 H new ATOM 0 HD3 ARG A 58 19.204 -17.289 -6.459 1.00 13.20 H new ATOM 0 HE ARG A 58 16.622 -18.255 -5.576 1.00 54.54 H new ATOM 0 HH11 ARG A 58 19.163 -18.726 -7.980 1.00 12.45 H new ATOM 0 HH12 ARG A 58 18.781 -20.434 -8.219 1.00 12.45 H new ATOM 0 HH21 ARG A 58 16.137 -20.451 -5.887 1.00 45.22 H new ATOM 0 HH22 ARG A 58 17.075 -21.407 -7.039 1.00 45.22 H new ATOM 921 N GLN A 59 20.594 -14.416 -5.644 1.00 43.21 N ATOM 922 CA GLN A 59 21.506 -14.299 -6.776 1.00 64.43 C ATOM 923 C GLN A 59 22.857 -13.747 -6.331 1.00 14.40 C ATOM 924 O GLN A 59 23.900 -14.134 -6.862 1.00 25.54 O ATOM 925 CB GLN A 59 20.903 -13.396 -7.853 1.00 71.13 C ATOM 926 CG GLN A 59 20.403 -14.154 -9.072 1.00 51.21 C ATOM 927 CD GLN A 59 19.639 -13.269 -10.038 1.00 61.15 C ATOM 928 OE1 GLN A 59 20.206 -12.742 -10.994 1.00 2.35 O ATOM 929 NE2 GLN A 59 18.345 -13.101 -9.791 1.00 43.24 N ATOM 0 H GLN A 59 20.008 -13.596 -5.488 1.00 43.21 H new ATOM 0 HA GLN A 59 21.659 -15.295 -7.191 1.00 64.43 H new ATOM 0 HB2 GLN A 59 20.076 -12.832 -7.421 1.00 71.13 H new ATOM 0 HB3 GLN A 59 21.653 -12.671 -8.169 1.00 71.13 H new ATOM 0 HG2 GLN A 59 21.251 -14.602 -9.589 1.00 51.21 H new ATOM 0 HG3 GLN A 59 19.759 -14.972 -8.748 1.00 51.21 H new ATOM 0 HE21 GLN A 59 17.916 -13.558 -8.986 1.00 43.24 H new ATOM 0 HE22 GLN A 59 17.780 -12.515 -10.406 1.00 43.24 H new ATOM 938 N ILE A 60 22.831 -12.844 -5.358 1.00 52.42 N ATOM 939 CA ILE A 60 24.053 -12.242 -4.842 1.00 3.50 C ATOM 940 C ILE A 60 24.974 -13.296 -4.238 1.00 64.34 C ATOM 941 O ILE A 60 26.176 -13.315 -4.505 1.00 25.35 O ATOM 942 CB ILE A 60 23.749 -11.171 -3.779 1.00 22.42 C ATOM 943 CG1 ILE A 60 22.852 -10.078 -4.366 1.00 62.04 C ATOM 944 CG2 ILE A 60 25.041 -10.572 -3.244 1.00 41.42 C ATOM 945 CD1 ILE A 60 22.150 -9.244 -3.317 1.00 14.45 C ATOM 0 H ILE A 60 21.976 -12.513 -4.911 1.00 52.42 H new ATOM 0 HA ILE A 60 24.552 -11.770 -5.688 1.00 3.50 H new ATOM 0 HB ILE A 60 23.221 -11.643 -2.951 1.00 22.42 H new ATOM 0 HG12 ILE A 60 23.455 -9.423 -4.995 1.00 62.04 H new ATOM 0 HG13 ILE A 60 22.105 -10.540 -5.011 1.00 62.04 H new ATOM 0 HG21 ILE A 60 24.808 -9.817 -2.493 1.00 41.42 H new ATOM 0 HG22 ILE A 60 25.647 -11.358 -2.792 1.00 41.42 H new ATOM 0 HG23 ILE A 60 25.595 -10.112 -4.062 1.00 41.42 H new ATOM 0 HD11 ILE A 60 21.532 -8.490 -3.805 1.00 14.45 H new ATOM 0 HD12 ILE A 60 21.520 -9.887 -2.703 1.00 14.45 H new ATOM 0 HD13 ILE A 60 22.891 -8.753 -2.687 1.00 14.45 H new ATOM 957 N LEU A 61 24.401 -14.173 -3.421 1.00 72.03 N ATOM 958 CA LEU A 61 25.170 -15.234 -2.777 1.00 33.01 C ATOM 959 C LEU A 61 25.767 -16.180 -3.815 1.00 61.25 C ATOM 960 O LEU A 61 26.787 -16.822 -3.569 1.00 2.11 O ATOM 961 CB LEU A 61 24.283 -16.017 -1.808 1.00 25.32 C ATOM 962 CG LEU A 61 24.047 -15.370 -0.443 1.00 72.23 C ATOM 963 CD1 LEU A 61 23.002 -16.148 0.344 1.00 4.43 C ATOM 964 CD2 LEU A 61 25.349 -15.283 0.339 1.00 42.22 C ATOM 0 H LEU A 61 23.408 -14.171 -3.189 1.00 72.03 H new ATOM 0 HA LEU A 61 25.986 -14.772 -2.221 1.00 33.01 H new ATOM 0 HB2 LEU A 61 23.315 -16.180 -2.283 1.00 25.32 H new ATOM 0 HB3 LEU A 61 24.730 -16.999 -1.650 1.00 25.32 H new ATOM 0 HG LEU A 61 23.674 -14.358 -0.603 1.00 72.23 H new ATOM 0 HD11 LEU A 61 22.848 -15.673 1.313 1.00 4.43 H new ATOM 0 HD12 LEU A 61 22.063 -16.158 -0.209 1.00 4.43 H new ATOM 0 HD13 LEU A 61 23.346 -17.171 0.493 1.00 4.43 H new ATOM 0 HD21 LEU A 61 25.161 -14.820 1.308 1.00 42.22 H new ATOM 0 HD22 LEU A 61 25.752 -16.285 0.488 1.00 42.22 H new ATOM 0 HD23 LEU A 61 26.068 -14.682 -0.217 1.00 42.22 H new ATOM 976 N GLY A 62 25.124 -16.259 -4.976 1.00 61.55 N ATOM 977 CA GLY A 62 25.607 -17.126 -6.034 1.00 52.14 C ATOM 978 C GLY A 62 26.850 -16.581 -6.709 1.00 20.34 C ATOM 979 O GLY A 62 27.803 -17.318 -6.957 1.00 63.14 O ATOM 0 H GLY A 62 24.277 -15.738 -5.202 1.00 61.55 H new ATOM 0 HA2 GLY A 62 25.824 -18.111 -5.621 1.00 52.14 H new ATOM 0 HA3 GLY A 62 24.822 -17.258 -6.778 1.00 52.14 H new ATOM 983 N GLN A 63 26.838 -15.285 -7.008 1.00 14.42 N ATOM 984 CA GLN A 63 27.972 -14.642 -7.663 1.00 75.35 C ATOM 985 C GLN A 63 29.110 -14.411 -6.673 1.00 12.53 C ATOM 986 O GLN A 63 30.277 -14.340 -7.060 1.00 41.12 O ATOM 987 CB GLN A 63 27.543 -13.314 -8.285 1.00 61.11 C ATOM 988 CG GLN A 63 28.690 -12.534 -8.907 1.00 74.42 C ATOM 989 CD GLN A 63 29.192 -11.419 -8.011 1.00 62.33 C ATOM 990 OE1 GLN A 63 30.234 -11.545 -7.368 1.00 43.24 O ATOM 991 NE2 GLN A 63 28.450 -10.319 -7.961 1.00 4.43 N ATOM 0 H GLN A 63 26.057 -14.661 -6.807 1.00 14.42 H new ATOM 0 HA GLN A 63 28.329 -15.304 -8.452 1.00 75.35 H new ATOM 0 HB2 GLN A 63 26.790 -13.507 -9.049 1.00 61.11 H new ATOM 0 HB3 GLN A 63 27.070 -12.700 -7.519 1.00 61.11 H new ATOM 0 HG2 GLN A 63 29.511 -13.216 -9.126 1.00 74.42 H new ATOM 0 HG3 GLN A 63 28.364 -12.112 -9.858 1.00 74.42 H new ATOM 0 HE21 GLN A 63 27.593 -10.257 -8.511 1.00 4.43 H new ATOM 0 HE22 GLN A 63 28.737 -9.536 -7.373 1.00 4.43 H new ATOM 1000 N LEU A 64 28.763 -14.293 -5.397 1.00 65.22 N ATOM 1001 CA LEU A 64 29.756 -14.068 -4.352 1.00 33.40 C ATOM 1002 C LEU A 64 30.424 -15.377 -3.944 1.00 15.33 C ATOM 1003 O LEU A 64 31.554 -15.382 -3.459 1.00 35.20 O ATOM 1004 CB LEU A 64 29.102 -13.415 -3.132 1.00 5.45 C ATOM 1005 CG LEU A 64 29.308 -11.907 -2.988 1.00 64.45 C ATOM 1006 CD1 LEU A 64 28.586 -11.385 -1.755 1.00 51.52 C ATOM 1007 CD2 LEU A 64 30.792 -11.576 -2.918 1.00 43.25 C ATOM 0 H LEU A 64 27.802 -14.349 -5.060 1.00 65.22 H new ATOM 0 HA LEU A 64 30.520 -13.400 -4.749 1.00 33.40 H new ATOM 0 HB2 LEU A 64 28.031 -13.613 -3.169 1.00 5.45 H new ATOM 0 HB3 LEU A 64 29.485 -13.901 -2.235 1.00 5.45 H new ATOM 0 HG LEU A 64 28.887 -11.417 -3.866 1.00 64.45 H new ATOM 0 HD11 LEU A 64 28.744 -10.310 -1.669 1.00 51.52 H new ATOM 0 HD12 LEU A 64 27.519 -11.589 -1.845 1.00 51.52 H new ATOM 0 HD13 LEU A 64 28.977 -11.882 -0.867 1.00 51.52 H new ATOM 0 HD21 LEU A 64 30.920 -10.498 -2.816 1.00 43.25 H new ATOM 0 HD22 LEU A 64 31.236 -12.078 -2.058 1.00 43.25 H new ATOM 0 HD23 LEU A 64 31.284 -11.915 -3.830 1.00 43.25 H new ATOM 1019 N GLN A 65 29.717 -16.485 -4.149 1.00 63.03 N ATOM 1020 CA GLN A 65 30.243 -17.800 -3.804 1.00 14.12 C ATOM 1021 C GLN A 65 31.624 -18.012 -4.417 1.00 61.11 C ATOM 1022 O GLN A 65 32.618 -18.200 -3.716 1.00 43.40 O ATOM 1023 CB GLN A 65 29.287 -18.895 -4.280 1.00 54.13 C ATOM 1024 CG GLN A 65 28.508 -19.555 -3.153 1.00 52.44 C ATOM 1025 CD GLN A 65 28.136 -20.991 -3.465 1.00 73.22 C ATOM 1026 OE1 GLN A 65 27.620 -21.291 -4.541 1.00 32.14 O ATOM 1027 NE2 GLN A 65 28.398 -21.889 -2.521 1.00 23.31 N ATOM 0 H GLN A 65 28.780 -16.497 -4.552 1.00 63.03 H new ATOM 0 HA GLN A 65 30.335 -17.854 -2.719 1.00 14.12 H new ATOM 0 HB2 GLN A 65 28.584 -18.467 -4.994 1.00 54.13 H new ATOM 0 HB3 GLN A 65 29.857 -19.657 -4.812 1.00 54.13 H new ATOM 0 HG2 GLN A 65 29.103 -19.528 -2.240 1.00 52.44 H new ATOM 0 HG3 GLN A 65 27.601 -18.982 -2.959 1.00 52.44 H new ATOM 0 HE21 GLN A 65 28.827 -21.596 -1.643 1.00 23.31 H new ATOM 0 HE22 GLN A 65 28.170 -22.871 -2.674 1.00 23.31 H new ATOM 1036 N PRO A 66 31.688 -17.981 -5.756 1.00 15.11 N ATOM 1037 CA PRO A 66 32.942 -18.167 -6.493 1.00 75.25 C ATOM 1038 C PRO A 66 33.896 -16.990 -6.322 1.00 34.13 C ATOM 1039 O PRO A 66 35.088 -17.099 -6.608 1.00 25.20 O ATOM 1040 CB PRO A 66 32.484 -18.279 -7.949 1.00 61.11 C ATOM 1041 CG PRO A 66 31.188 -17.547 -7.996 1.00 30.42 C ATOM 1042 CD PRO A 66 30.543 -17.762 -6.655 1.00 21.21 C ATOM 0 HA PRO A 66 33.498 -19.035 -6.139 1.00 75.25 H new ATOM 0 HB2 PRO A 66 33.213 -17.837 -8.628 1.00 61.11 H new ATOM 0 HB3 PRO A 66 32.361 -19.320 -8.246 1.00 61.11 H new ATOM 0 HG2 PRO A 66 31.346 -16.486 -8.188 1.00 30.42 H new ATOM 0 HG3 PRO A 66 30.555 -17.925 -8.799 1.00 30.42 H new ATOM 0 HD2 PRO A 66 29.952 -16.898 -6.350 1.00 21.21 H new ATOM 0 HD3 PRO A 66 29.871 -18.620 -6.666 1.00 21.21 H new ATOM 1050 N SER A 67 33.362 -15.866 -5.854 1.00 40.13 N ATOM 1051 CA SER A 67 34.165 -14.667 -5.649 1.00 41.03 C ATOM 1052 C SER A 67 34.902 -14.728 -4.314 1.00 2.32 C ATOM 1053 O SER A 67 35.949 -14.103 -4.139 1.00 13.23 O ATOM 1054 CB SER A 67 33.281 -13.419 -5.699 1.00 34.12 C ATOM 1055 OG SER A 67 32.694 -13.263 -6.980 1.00 25.31 O ATOM 0 H SER A 67 32.377 -15.761 -5.610 1.00 40.13 H new ATOM 0 HA SER A 67 34.902 -14.613 -6.450 1.00 41.03 H new ATOM 0 HB2 SER A 67 32.499 -13.492 -4.943 1.00 34.12 H new ATOM 0 HB3 SER A 67 33.876 -12.538 -5.458 1.00 34.12 H new ATOM 0 HG SER A 67 31.924 -13.864 -7.062 1.00 25.31 H new ATOM 1061 N LEU A 68 34.346 -15.486 -3.374 1.00 43.55 N ATOM 1062 CA LEU A 68 34.950 -15.630 -2.054 1.00 72.31 C ATOM 1063 C LEU A 68 36.417 -16.030 -2.165 1.00 12.02 C ATOM 1064 O LEU A 68 37.230 -15.687 -1.307 1.00 10.51 O ATOM 1065 CB LEU A 68 34.186 -16.672 -1.234 1.00 44.51 C ATOM 1066 CG LEU A 68 32.865 -16.207 -0.620 1.00 42.02 C ATOM 1067 CD1 LEU A 68 31.948 -17.393 -0.367 1.00 35.11 C ATOM 1068 CD2 LEU A 68 33.117 -15.440 0.670 1.00 53.13 C ATOM 0 H LEU A 68 33.480 -16.009 -3.501 1.00 43.55 H new ATOM 0 HA LEU A 68 34.894 -14.665 -1.549 1.00 72.31 H new ATOM 0 HB2 LEU A 68 33.984 -17.531 -1.874 1.00 44.51 H new ATOM 0 HB3 LEU A 68 34.835 -17.019 -0.430 1.00 44.51 H new ATOM 0 HG LEU A 68 32.373 -15.538 -1.326 1.00 42.02 H new ATOM 0 HD11 LEU A 68 31.013 -17.043 0.070 1.00 35.11 H new ATOM 0 HD12 LEU A 68 31.741 -17.900 -1.309 1.00 35.11 H new ATOM 0 HD13 LEU A 68 32.432 -18.087 0.320 1.00 35.11 H new ATOM 0 HD21 LEU A 68 32.166 -15.117 1.093 1.00 53.13 H new ATOM 0 HD22 LEU A 68 33.630 -16.085 1.383 1.00 53.13 H new ATOM 0 HD23 LEU A 68 33.736 -14.568 0.460 1.00 53.13 H new ATOM 1080 N GLN A 69 36.748 -16.755 -3.229 1.00 1.23 N ATOM 1081 CA GLN A 69 38.119 -17.200 -3.453 1.00 32.31 C ATOM 1082 C GLN A 69 38.921 -16.137 -4.196 1.00 43.55 C ATOM 1083 O GLN A 69 40.109 -15.943 -3.932 1.00 22.52 O ATOM 1084 CB GLN A 69 38.129 -18.510 -4.244 1.00 24.14 C ATOM 1085 CG GLN A 69 39.496 -19.170 -4.308 1.00 53.24 C ATOM 1086 CD GLN A 69 39.631 -20.122 -5.481 1.00 20.22 C ATOM 1087 OE1 GLN A 69 39.777 -19.696 -6.627 1.00 63.24 O ATOM 1088 NE2 GLN A 69 39.581 -21.419 -5.199 1.00 30.05 N ATOM 0 H GLN A 69 36.087 -17.046 -3.949 1.00 1.23 H new ATOM 0 HA GLN A 69 38.584 -17.367 -2.482 1.00 32.31 H new ATOM 0 HB2 GLN A 69 37.420 -19.204 -3.791 1.00 24.14 H new ATOM 0 HB3 GLN A 69 37.781 -18.315 -5.258 1.00 24.14 H new ATOM 0 HG2 GLN A 69 40.264 -18.400 -4.380 1.00 53.24 H new ATOM 0 HG3 GLN A 69 39.676 -19.714 -3.381 1.00 53.24 H new ATOM 0 HE21 GLN A 69 39.459 -21.727 -4.234 1.00 30.05 H new ATOM 0 HE22 GLN A 69 39.665 -22.107 -5.947 1.00 30.05 H new ATOM 1097 N THR A 70 38.266 -15.451 -5.127 1.00 44.42 N ATOM 1098 CA THR A 70 38.919 -14.408 -5.908 1.00 33.04 C ATOM 1099 C THR A 70 39.398 -13.269 -5.016 1.00 20.31 C ATOM 1100 O THR A 70 40.594 -12.987 -4.940 1.00 31.24 O ATOM 1101 CB THR A 70 37.975 -13.839 -6.985 1.00 63.24 C ATOM 1102 OG1 THR A 70 37.527 -14.890 -7.849 1.00 60.22 O ATOM 1103 CG2 THR A 70 38.674 -12.765 -7.805 1.00 54.32 C ATOM 0 H THR A 70 37.284 -15.599 -5.359 1.00 44.42 H new ATOM 0 HA THR A 70 39.778 -14.870 -6.394 1.00 33.04 H new ATOM 0 HB THR A 70 37.117 -13.390 -6.484 1.00 63.24 H new ATOM 0 HG1 THR A 70 36.926 -14.520 -8.529 1.00 60.22 H new ATOM 0 HG21 THR A 70 37.988 -12.378 -8.559 1.00 54.32 H new ATOM 0 HG22 THR A 70 38.988 -11.953 -7.149 1.00 54.32 H new ATOM 0 HG23 THR A 70 39.548 -13.193 -8.296 1.00 54.32 H new ATOM 1111 N GLY A 71 38.457 -12.617 -4.339 1.00 52.51 N ATOM 1112 CA GLY A 71 38.804 -11.516 -3.459 1.00 54.12 C ATOM 1113 C GLY A 71 38.853 -11.932 -2.002 1.00 14.42 C ATOM 1114 O GLY A 71 38.567 -13.082 -1.668 1.00 51.24 O ATOM 0 H GLY A 71 37.461 -12.832 -4.384 1.00 52.51 H new ATOM 0 HA2 GLY A 71 39.774 -11.113 -3.751 1.00 54.12 H new ATOM 0 HA3 GLY A 71 38.076 -10.714 -3.581 1.00 54.12 H new ATOM 1118 N SER A 72 39.218 -10.996 -1.132 1.00 0.55 N ATOM 1119 CA SER A 72 39.309 -11.272 0.296 1.00 44.42 C ATOM 1120 C SER A 72 39.435 -9.977 1.092 1.00 72.40 C ATOM 1121 O SER A 72 39.860 -8.950 0.564 1.00 63.20 O ATOM 1122 CB SER A 72 40.506 -12.180 0.586 1.00 13.31 C ATOM 1123 OG SER A 72 41.709 -11.435 0.646 1.00 60.42 O ATOM 0 H SER A 72 39.456 -10.039 -1.392 1.00 0.55 H new ATOM 0 HA SER A 72 38.394 -11.779 0.602 1.00 44.42 H new ATOM 0 HB2 SER A 72 40.350 -12.702 1.530 1.00 13.31 H new ATOM 0 HB3 SER A 72 40.585 -12.942 -0.190 1.00 13.31 H new ATOM 0 HG SER A 72 42.458 -12.038 0.834 1.00 60.42 H new ATOM 1129 N GLU A 73 39.062 -10.036 2.368 1.00 43.52 N ATOM 1130 CA GLU A 73 39.133 -8.868 3.238 1.00 12.14 C ATOM 1131 C GLU A 73 38.352 -7.699 2.644 1.00 34.31 C ATOM 1132 O GLU A 73 38.645 -6.538 2.923 1.00 4.52 O ATOM 1133 CB GLU A 73 40.590 -8.458 3.463 1.00 55.41 C ATOM 1134 CG GLU A 73 40.952 -8.279 4.928 1.00 53.13 C ATOM 1135 CD GLU A 73 41.163 -6.825 5.303 1.00 55.20 C ATOM 1136 OE1 GLU A 73 40.306 -5.990 4.947 1.00 52.31 O ATOM 1137 OE2 GLU A 73 42.185 -6.523 5.954 1.00 52.31 O ATOM 0 H GLU A 73 38.708 -10.879 2.821 1.00 43.52 H new ATOM 0 HA GLU A 73 38.686 -9.134 4.196 1.00 12.14 H new ATOM 0 HB2 GLU A 73 41.243 -9.213 3.026 1.00 55.41 H new ATOM 0 HB3 GLU A 73 40.782 -7.525 2.933 1.00 55.41 H new ATOM 0 HG2 GLU A 73 40.160 -8.699 5.548 1.00 53.13 H new ATOM 0 HG3 GLU A 73 41.860 -8.842 5.146 1.00 53.13 H new ATOM 1144 N GLU A 74 37.356 -8.017 1.822 1.00 32.42 N ATOM 1145 CA GLU A 74 36.533 -6.994 1.189 1.00 13.34 C ATOM 1146 C GLU A 74 35.139 -7.532 0.878 1.00 32.23 C ATOM 1147 O GLU A 74 34.137 -6.845 1.080 1.00 4.24 O ATOM 1148 CB GLU A 74 37.198 -6.498 -0.097 1.00 54.50 C ATOM 1149 CG GLU A 74 36.921 -5.035 -0.401 1.00 33.24 C ATOM 1150 CD GLU A 74 38.187 -4.241 -0.654 1.00 13.23 C ATOM 1151 OE1 GLU A 74 38.919 -3.967 0.320 1.00 71.22 O ATOM 1152 OE2 GLU A 74 38.447 -3.894 -1.826 1.00 72.31 O ATOM 0 H GLU A 74 37.100 -8.974 1.580 1.00 32.42 H new ATOM 0 HA GLU A 74 36.435 -6.161 1.885 1.00 13.34 H new ATOM 0 HB2 GLU A 74 38.275 -6.647 -0.020 1.00 54.50 H new ATOM 0 HB3 GLU A 74 36.852 -7.106 -0.933 1.00 54.50 H new ATOM 0 HG2 GLU A 74 36.273 -4.966 -1.275 1.00 33.24 H new ATOM 0 HG3 GLU A 74 36.379 -4.591 0.434 1.00 33.24 H new ATOM 1159 N LEU A 75 35.082 -8.764 0.386 1.00 41.52 N ATOM 1160 CA LEU A 75 33.812 -9.396 0.047 1.00 2.41 C ATOM 1161 C LEU A 75 33.399 -10.399 1.118 1.00 53.20 C ATOM 1162 O LEU A 75 32.233 -10.781 1.209 1.00 4.14 O ATOM 1163 CB LEU A 75 33.913 -10.094 -1.312 1.00 24.50 C ATOM 1164 CG LEU A 75 34.445 -11.527 -1.291 1.00 4.13 C ATOM 1165 CD1 LEU A 75 34.318 -12.163 -2.667 1.00 63.43 C ATOM 1166 CD2 LEU A 75 35.892 -11.553 -0.821 1.00 62.21 C ATOM 0 H LEU A 75 35.901 -9.346 0.213 1.00 41.52 H new ATOM 0 HA LEU A 75 33.051 -8.618 -0.007 1.00 2.41 H new ATOM 0 HB2 LEU A 75 32.923 -10.102 -1.769 1.00 24.50 H new ATOM 0 HB3 LEU A 75 34.558 -9.498 -1.958 1.00 24.50 H new ATOM 0 HG LEU A 75 33.846 -12.106 -0.588 1.00 4.13 H new ATOM 0 HD11 LEU A 75 34.702 -13.183 -2.633 1.00 63.43 H new ATOM 0 HD12 LEU A 75 33.270 -12.179 -2.965 1.00 63.43 H new ATOM 0 HD13 LEU A 75 34.892 -11.583 -3.390 1.00 63.43 H new ATOM 0 HD21 LEU A 75 36.253 -12.581 -0.813 1.00 62.21 H new ATOM 0 HD22 LEU A 75 36.505 -10.958 -1.498 1.00 62.21 H new ATOM 0 HD23 LEU A 75 35.955 -11.138 0.185 1.00 62.21 H new ATOM 1178 N ARG A 76 34.364 -10.822 1.928 1.00 55.14 N ATOM 1179 CA ARG A 76 34.101 -11.781 2.994 1.00 75.23 C ATOM 1180 C ARG A 76 32.934 -11.321 3.863 1.00 52.55 C ATOM 1181 O ARG A 76 32.014 -12.089 4.141 1.00 54.33 O ATOM 1182 CB ARG A 76 35.350 -11.972 3.857 1.00 21.41 C ATOM 1183 CG ARG A 76 36.093 -13.267 3.576 1.00 63.10 C ATOM 1184 CD ARG A 76 37.467 -13.274 4.229 1.00 73.11 C ATOM 1185 NE ARG A 76 37.379 -13.267 5.686 1.00 62.04 N ATOM 1186 CZ ARG A 76 38.439 -13.313 6.486 1.00 22.01 C ATOM 1187 NH1 ARG A 76 39.660 -13.368 5.972 1.00 33.22 N ATOM 1188 NH2 ARG A 76 38.279 -13.302 7.804 1.00 52.21 N ATOM 0 H ARG A 76 35.335 -10.516 1.866 1.00 55.14 H new ATOM 0 HA ARG A 76 33.836 -12.733 2.535 1.00 75.23 H new ATOM 0 HB2 ARG A 76 36.026 -11.133 3.693 1.00 21.41 H new ATOM 0 HB3 ARG A 76 35.062 -11.949 4.908 1.00 21.41 H new ATOM 0 HG2 ARG A 76 35.509 -14.110 3.945 1.00 63.10 H new ATOM 0 HG3 ARG A 76 36.200 -13.400 2.499 1.00 63.10 H new ATOM 0 HD2 ARG A 76 38.019 -14.156 3.903 1.00 73.11 H new ATOM 0 HD3 ARG A 76 38.032 -12.403 3.896 1.00 73.11 H new ATOM 0 HE ARG A 76 36.454 -13.224 6.113 1.00 62.04 H new ATOM 0 HH11 ARG A 76 39.787 -13.375 4.960 1.00 33.22 H new ATOM 0 HH12 ARG A 76 40.472 -13.403 6.589 1.00 33.22 H new ATOM 0 HH21 ARG A 76 37.342 -13.258 8.204 1.00 52.21 H new ATOM 0 HH22 ARG A 76 39.094 -13.337 8.417 1.00 52.21 H new ATOM 1202 N SER A 77 32.980 -10.064 4.289 1.00 25.10 N ATOM 1203 CA SER A 77 31.929 -9.502 5.131 1.00 12.51 C ATOM 1204 C SER A 77 30.596 -9.480 4.390 1.00 30.30 C ATOM 1205 O SER A 77 29.534 -9.643 4.994 1.00 43.24 O ATOM 1206 CB SER A 77 32.303 -8.087 5.574 1.00 41.31 C ATOM 1207 OG SER A 77 32.912 -8.098 6.854 1.00 65.03 O ATOM 0 H SER A 77 33.734 -9.414 4.065 1.00 25.10 H new ATOM 0 HA SER A 77 31.825 -10.134 6.013 1.00 12.51 H new ATOM 0 HB2 SER A 77 32.984 -7.643 4.848 1.00 41.31 H new ATOM 0 HB3 SER A 77 31.410 -7.462 5.598 1.00 41.31 H new ATOM 0 HG SER A 77 33.143 -7.182 7.114 1.00 65.03 H new ATOM 1213 N LEU A 78 30.657 -9.276 3.079 1.00 3.23 N ATOM 1214 CA LEU A 78 29.454 -9.232 2.255 1.00 10.31 C ATOM 1215 C LEU A 78 28.735 -10.576 2.269 1.00 33.30 C ATOM 1216 O LEU A 78 27.559 -10.658 2.627 1.00 53.23 O ATOM 1217 CB LEU A 78 29.812 -8.847 0.817 1.00 70.42 C ATOM 1218 CG LEU A 78 29.495 -7.407 0.410 1.00 40.21 C ATOM 1219 CD1 LEU A 78 28.017 -7.111 0.603 1.00 22.22 C ATOM 1220 CD2 LEU A 78 30.346 -6.429 1.205 1.00 62.14 C ATOM 0 H LEU A 78 31.526 -9.138 2.564 1.00 3.23 H new ATOM 0 HA LEU A 78 28.785 -8.479 2.671 1.00 10.31 H new ATOM 0 HB2 LEU A 78 30.878 -9.019 0.671 1.00 70.42 H new ATOM 0 HB3 LEU A 78 29.285 -9.519 0.140 1.00 70.42 H new ATOM 0 HG LEU A 78 29.732 -7.288 -0.647 1.00 40.21 H new ATOM 0 HD11 LEU A 78 27.810 -6.082 0.308 1.00 22.22 H new ATOM 0 HD12 LEU A 78 27.427 -7.790 -0.012 1.00 22.22 H new ATOM 0 HD13 LEU A 78 27.752 -7.248 1.651 1.00 22.22 H new ATOM 0 HD21 LEU A 78 30.107 -5.409 0.902 1.00 62.14 H new ATOM 0 HD22 LEU A 78 30.141 -6.549 2.269 1.00 62.14 H new ATOM 0 HD23 LEU A 78 31.401 -6.626 1.015 1.00 62.14 H new ATOM 1232 N TYR A 79 29.447 -11.627 1.880 1.00 3.34 N ATOM 1233 CA TYR A 79 28.877 -12.969 1.847 1.00 21.14 C ATOM 1234 C TYR A 79 28.260 -13.331 3.195 1.00 44.42 C ATOM 1235 O TYR A 79 27.317 -14.117 3.267 1.00 40.25 O ATOM 1236 CB TYR A 79 29.948 -13.993 1.472 1.00 11.22 C ATOM 1237 CG TYR A 79 29.385 -15.333 1.054 1.00 3.43 C ATOM 1238 CD1 TYR A 79 28.624 -15.458 -0.102 1.00 30.52 C ATOM 1239 CD2 TYR A 79 29.615 -16.472 1.815 1.00 13.15 C ATOM 1240 CE1 TYR A 79 28.107 -16.680 -0.488 1.00 43.12 C ATOM 1241 CE2 TYR A 79 29.102 -17.698 1.435 1.00 53.25 C ATOM 1242 CZ TYR A 79 28.350 -17.797 0.284 1.00 71.32 C ATOM 1243 OH TYR A 79 27.837 -19.016 -0.096 1.00 72.35 O ATOM 0 H TYR A 79 30.421 -11.576 1.583 1.00 3.34 H new ATOM 0 HA TYR A 79 28.091 -12.984 1.092 1.00 21.14 H new ATOM 0 HB2 TYR A 79 30.552 -13.593 0.658 1.00 11.22 H new ATOM 0 HB3 TYR A 79 30.614 -14.138 2.323 1.00 11.22 H new ATOM 0 HD1 TYR A 79 28.433 -14.585 -0.709 1.00 30.52 H new ATOM 0 HD2 TYR A 79 30.204 -16.399 2.717 1.00 13.15 H new ATOM 0 HE1 TYR A 79 27.516 -16.760 -1.389 1.00 43.12 H new ATOM 0 HE2 TYR A 79 29.290 -18.575 2.037 1.00 53.25 H new ATOM 0 HH TYR A 79 28.101 -19.699 0.555 1.00 72.35 H new ATOM 1253 N ASN A 80 28.802 -12.750 4.261 1.00 31.24 N ATOM 1254 CA ASN A 80 28.306 -13.010 5.608 1.00 51.31 C ATOM 1255 C ASN A 80 26.999 -12.265 5.861 1.00 13.44 C ATOM 1256 O ASN A 80 25.974 -12.873 6.169 1.00 73.33 O ATOM 1257 CB ASN A 80 29.351 -12.597 6.646 1.00 41.02 C ATOM 1258 CG ASN A 80 30.578 -13.488 6.618 1.00 63.22 C ATOM 1259 OD1 ASN A 80 31.708 -13.003 6.563 1.00 55.15 O ATOM 1260 ND2 ASN A 80 30.359 -14.797 6.658 1.00 24.23 N ATOM 0 H ASN A 80 29.584 -12.097 4.218 1.00 31.24 H new ATOM 0 HA ASN A 80 28.116 -14.080 5.698 1.00 51.31 H new ATOM 0 HB2 ASN A 80 29.651 -11.565 6.465 1.00 41.02 H new ATOM 0 HB3 ASN A 80 28.904 -12.629 7.640 1.00 41.02 H new ATOM 0 HD21 ASN A 80 31.145 -15.446 6.644 1.00 24.23 H new ATOM 0 HD22 ASN A 80 29.404 -15.153 6.703 1.00 24.23 H new ATOM 1267 N THR A 81 27.042 -10.944 5.725 1.00 64.33 N ATOM 1268 CA THR A 81 25.862 -10.114 5.939 1.00 51.24 C ATOM 1269 C THR A 81 24.729 -10.520 5.004 1.00 35.32 C ATOM 1270 O THR A 81 23.602 -10.750 5.444 1.00 12.11 O ATOM 1271 CB THR A 81 26.178 -8.621 5.728 1.00 54.15 C ATOM 1272 OG1 THR A 81 27.361 -8.264 6.453 1.00 32.42 O ATOM 1273 CG2 THR A 81 25.016 -7.753 6.181 1.00 63.43 C ATOM 0 H THR A 81 27.881 -10.425 5.467 1.00 64.33 H new ATOM 0 HA THR A 81 25.550 -10.268 6.972 1.00 51.24 H new ATOM 0 HB THR A 81 26.341 -8.453 4.663 1.00 54.15 H new ATOM 0 HG1 THR A 81 28.151 -8.563 5.957 1.00 32.42 H new ATOM 0 HG21 THR A 81 25.263 -6.703 6.022 1.00 63.43 H new ATOM 0 HG22 THR A 81 24.126 -8.008 5.606 1.00 63.43 H new ATOM 0 HG23 THR A 81 24.825 -7.925 7.240 1.00 63.43 H new ATOM 1281 N ILE A 82 25.034 -10.606 3.714 1.00 44.15 N ATOM 1282 CA ILE A 82 24.040 -10.986 2.718 1.00 51.45 C ATOM 1283 C ILE A 82 23.406 -12.329 3.059 1.00 53.22 C ATOM 1284 O ILE A 82 22.280 -12.616 2.655 1.00 4.24 O ATOM 1285 CB ILE A 82 24.659 -11.065 1.309 1.00 33.01 C ATOM 1286 CG1 ILE A 82 25.299 -9.728 0.933 1.00 50.15 C ATOM 1287 CG2 ILE A 82 23.600 -11.458 0.288 1.00 61.43 C ATOM 1288 CD1 ILE A 82 26.235 -9.818 -0.251 1.00 53.55 C ATOM 0 H ILE A 82 25.962 -10.418 3.334 1.00 44.15 H new ATOM 0 HA ILE A 82 23.272 -10.213 2.726 1.00 51.45 H new ATOM 0 HB ILE A 82 25.436 -11.829 1.311 1.00 33.01 H new ATOM 0 HG12 ILE A 82 24.512 -9.008 0.710 1.00 50.15 H new ATOM 0 HG13 ILE A 82 25.849 -9.343 1.792 1.00 50.15 H new ATOM 0 HG21 ILE A 82 24.051 -11.510 -0.703 1.00 61.43 H new ATOM 0 HG22 ILE A 82 23.186 -12.432 0.550 1.00 61.43 H new ATOM 0 HG23 ILE A 82 22.803 -10.714 0.285 1.00 61.43 H new ATOM 0 HD11 ILE A 82 26.652 -8.833 -0.461 1.00 53.55 H new ATOM 0 HD12 ILE A 82 27.043 -10.513 -0.024 1.00 53.55 H new ATOM 0 HD13 ILE A 82 25.686 -10.173 -1.123 1.00 53.55 H new ATOM 1300 N ALA A 83 24.136 -13.149 3.808 1.00 35.20 N ATOM 1301 CA ALA A 83 23.643 -14.462 4.207 1.00 20.13 C ATOM 1302 C ALA A 83 22.608 -14.344 5.321 1.00 64.14 C ATOM 1303 O ALA A 83 21.474 -14.799 5.180 1.00 11.11 O ATOM 1304 CB ALA A 83 24.798 -15.348 4.648 1.00 71.13 C ATOM 0 H ALA A 83 25.071 -12.927 4.151 1.00 35.20 H new ATOM 0 HA ALA A 83 23.159 -14.919 3.344 1.00 20.13 H new ATOM 0 HB1 ALA A 83 24.415 -16.325 4.943 1.00 71.13 H new ATOM 0 HB2 ALA A 83 25.500 -15.468 3.823 1.00 71.13 H new ATOM 0 HB3 ALA A 83 25.307 -14.887 5.494 1.00 71.13 H new ATOM 1310 N VAL A 84 23.008 -13.730 6.430 1.00 62.23 N ATOM 1311 CA VAL A 84 22.116 -13.551 7.570 1.00 33.43 C ATOM 1312 C VAL A 84 20.831 -12.842 7.156 1.00 12.11 C ATOM 1313 O VAL A 84 19.749 -13.153 7.655 1.00 44.32 O ATOM 1314 CB VAL A 84 22.794 -12.746 8.694 1.00 0.43 C ATOM 1315 CG1 VAL A 84 21.910 -12.706 9.931 1.00 42.42 C ATOM 1316 CG2 VAL A 84 24.158 -13.336 9.022 1.00 64.13 C ATOM 0 H VAL A 84 23.944 -13.348 6.563 1.00 62.23 H new ATOM 0 HA VAL A 84 21.875 -14.547 7.942 1.00 33.43 H new ATOM 0 HB VAL A 84 22.939 -11.723 8.348 1.00 0.43 H new ATOM 0 HG11 VAL A 84 22.406 -12.133 10.714 1.00 42.42 H new ATOM 0 HG12 VAL A 84 20.959 -12.235 9.683 1.00 42.42 H new ATOM 0 HG13 VAL A 84 21.731 -13.722 10.283 1.00 42.42 H new ATOM 0 HG21 VAL A 84 24.624 -12.755 9.818 1.00 64.13 H new ATOM 0 HG22 VAL A 84 24.039 -14.369 9.348 1.00 64.13 H new ATOM 0 HG23 VAL A 84 24.790 -13.307 8.134 1.00 64.13 H new ATOM 1326 N LEU A 85 20.958 -11.888 6.240 1.00 33.01 N ATOM 1327 CA LEU A 85 19.807 -11.134 5.756 1.00 32.52 C ATOM 1328 C LEU A 85 18.857 -12.033 4.972 1.00 31.13 C ATOM 1329 O LEU A 85 17.667 -12.113 5.277 1.00 21.51 O ATOM 1330 CB LEU A 85 20.267 -9.969 4.879 1.00 55.33 C ATOM 1331 CG LEU A 85 19.323 -8.768 4.807 1.00 61.15 C ATOM 1332 CD1 LEU A 85 19.293 -8.034 6.140 1.00 10.33 C ATOM 1333 CD2 LEU A 85 19.742 -7.827 3.688 1.00 32.12 C ATOM 0 H LEU A 85 21.846 -11.618 5.818 1.00 33.01 H new ATOM 0 HA LEU A 85 19.273 -10.740 6.621 1.00 32.52 H new ATOM 0 HB2 LEU A 85 21.234 -9.624 5.246 1.00 55.33 H new ATOM 0 HB3 LEU A 85 20.425 -10.343 3.867 1.00 55.33 H new ATOM 0 HG LEU A 85 18.318 -9.131 4.592 1.00 61.15 H new ATOM 0 HD11 LEU A 85 18.616 -7.182 6.071 1.00 10.33 H new ATOM 0 HD12 LEU A 85 18.946 -8.711 6.920 1.00 10.33 H new ATOM 0 HD13 LEU A 85 20.295 -7.682 6.384 1.00 10.33 H new ATOM 0 HD21 LEU A 85 19.059 -6.978 3.652 1.00 32.12 H new ATOM 0 HD22 LEU A 85 20.755 -7.470 3.873 1.00 32.12 H new ATOM 0 HD23 LEU A 85 19.713 -8.358 2.736 1.00 32.12 H new ATOM 1345 N TYR A 86 19.391 -12.709 3.960 1.00 60.25 N ATOM 1346 CA TYR A 86 18.591 -13.603 3.132 1.00 31.13 C ATOM 1347 C TYR A 86 17.817 -14.597 3.992 1.00 32.34 C ATOM 1348 O TYR A 86 16.605 -14.757 3.836 1.00 74.22 O ATOM 1349 CB TYR A 86 19.486 -14.355 2.144 1.00 64.11 C ATOM 1350 CG TYR A 86 18.768 -15.451 1.390 1.00 72.34 C ATOM 1351 CD1 TYR A 86 18.067 -15.174 0.223 1.00 53.21 C ATOM 1352 CD2 TYR A 86 18.792 -16.764 1.845 1.00 32.32 C ATOM 1353 CE1 TYR A 86 17.410 -16.173 -0.468 1.00 13.32 C ATOM 1354 CE2 TYR A 86 18.138 -17.769 1.159 1.00 74.31 C ATOM 1355 CZ TYR A 86 17.448 -17.469 0.003 1.00 23.33 C ATOM 1356 OH TYR A 86 16.796 -18.467 -0.684 1.00 22.44 O ATOM 0 H TYR A 86 20.374 -12.654 3.694 1.00 60.25 H new ATOM 0 HA TYR A 86 17.875 -12.997 2.576 1.00 31.13 H new ATOM 0 HB2 TYR A 86 19.900 -13.645 1.429 1.00 64.11 H new ATOM 0 HB3 TYR A 86 20.327 -14.789 2.686 1.00 64.11 H new ATOM 0 HD1 TYR A 86 18.035 -14.161 -0.150 1.00 53.21 H new ATOM 0 HD2 TYR A 86 19.331 -17.003 2.750 1.00 32.32 H new ATOM 0 HE1 TYR A 86 16.869 -15.941 -1.373 1.00 13.32 H new ATOM 0 HE2 TYR A 86 18.167 -18.784 1.526 1.00 74.31 H new ATOM 0 HH TYR A 86 16.923 -19.321 -0.219 1.00 22.44 H new ATOM 1366 N CYS A 87 18.524 -15.261 4.899 1.00 44.22 N ATOM 1367 CA CYS A 87 17.905 -16.239 5.785 1.00 33.30 C ATOM 1368 C CYS A 87 16.691 -15.642 6.492 1.00 54.12 C ATOM 1369 O CYS A 87 15.679 -16.316 6.684 1.00 10.22 O ATOM 1370 CB CYS A 87 18.917 -16.736 6.818 1.00 10.21 C ATOM 1371 SG CYS A 87 20.129 -17.905 6.160 1.00 11.42 S ATOM 0 H CYS A 87 19.527 -15.140 5.040 1.00 44.22 H new ATOM 0 HA CYS A 87 17.572 -17.081 5.178 1.00 33.30 H new ATOM 0 HB2 CYS A 87 19.445 -15.879 7.236 1.00 10.21 H new ATOM 0 HB3 CYS A 87 18.379 -17.210 7.639 1.00 10.21 H new ATOM 0 HG CYS A 87 20.500 -18.721 7.101 1.00 11.42 H new ATOM 1377 N VAL A 88 16.801 -14.375 6.878 1.00 12.32 N ATOM 1378 CA VAL A 88 15.714 -13.688 7.563 1.00 21.14 C ATOM 1379 C VAL A 88 14.555 -13.408 6.613 1.00 13.45 C ATOM 1380 O VAL A 88 13.406 -13.742 6.903 1.00 13.44 O ATOM 1381 CB VAL A 88 16.190 -12.359 8.179 1.00 44.41 C ATOM 1382 CG1 VAL A 88 15.035 -11.642 8.862 1.00 52.52 C ATOM 1383 CG2 VAL A 88 17.330 -12.603 9.157 1.00 35.21 C ATOM 0 H VAL A 88 17.633 -13.804 6.728 1.00 12.32 H new ATOM 0 HA VAL A 88 15.375 -14.349 8.360 1.00 21.14 H new ATOM 0 HB VAL A 88 16.560 -11.719 7.378 1.00 44.41 H new ATOM 0 HG11 VAL A 88 15.391 -10.705 9.291 1.00 52.52 H new ATOM 0 HG12 VAL A 88 14.254 -11.433 8.131 1.00 52.52 H new ATOM 0 HG13 VAL A 88 14.632 -12.274 9.654 1.00 52.52 H new ATOM 0 HG21 VAL A 88 17.654 -11.653 9.583 1.00 35.21 H new ATOM 0 HG22 VAL A 88 16.989 -13.261 9.956 1.00 35.21 H new ATOM 0 HG23 VAL A 88 18.165 -13.069 8.634 1.00 35.21 H new ATOM 1393 N HIS A 89 14.864 -12.793 5.475 1.00 45.05 N ATOM 1394 CA HIS A 89 13.848 -12.469 4.480 1.00 71.11 C ATOM 1395 C HIS A 89 13.024 -13.703 4.125 1.00 22.54 C ATOM 1396 O HIS A 89 11.843 -13.525 3.827 1.00 21.34 O ATOM 1397 CB HIS A 89 14.502 -11.899 3.220 1.00 31.45 C ATOM 1398 CG HIS A 89 14.928 -10.470 3.360 1.00 31.52 C ATOM 1399 ND1 HIS A 89 14.387 -9.612 4.295 1.00 10.23 N ATOM 1400 CD2 HIS A 89 15.848 -9.749 2.678 1.00 24.32 C ATOM 1401 CE1 HIS A 89 14.957 -8.425 4.181 1.00 1.13 C ATOM 1402 NE2 HIS A 89 15.847 -8.482 3.207 1.00 73.04 N ATOM 0 H HIS A 89 15.810 -12.509 5.219 1.00 45.05 H new ATOM 0 HA HIS A 89 13.182 -11.719 4.906 1.00 71.11 H new ATOM 0 HB2 HIS A 89 15.371 -12.505 2.966 1.00 31.45 H new ATOM 0 HB3 HIS A 89 13.802 -11.981 2.388 1.00 31.45 H new ATOM 0 HD2 HIS A 89 16.468 -10.104 1.868 1.00 24.32 H new ATOM 0 HE1 HIS A 89 14.733 -7.556 4.782 1.00 1.13 H new ATOM 0 HE2 HIS A 89 16.438 -7.710 2.898 1.00 73.04 H new ATOM 1411 N GLN A 90 13.593 -14.903 4.150 1.00 15.24 N ATOM 1412 CA GLN A 90 12.843 -16.110 3.817 1.00 70.13 C ATOM 1413 C GLN A 90 12.067 -16.619 5.027 1.00 31.15 C ATOM 1414 O GLN A 90 10.836 -16.594 5.042 1.00 63.30 O ATOM 1415 CB GLN A 90 13.790 -17.199 3.308 1.00 60.31 C ATOM 1416 CG GLN A 90 13.607 -17.523 1.834 1.00 74.40 C ATOM 1417 CD GLN A 90 12.889 -18.840 1.611 1.00 64.51 C ATOM 1418 OE1 GLN A 90 12.268 -19.384 2.524 1.00 41.25 O ATOM 1419 NE2 GLN A 90 12.970 -19.358 0.391 1.00 73.21 N ATOM 0 H GLN A 90 14.569 -15.067 4.397 1.00 15.24 H new ATOM 0 HA GLN A 90 12.131 -15.861 3.030 1.00 70.13 H new ATOM 0 HB2 GLN A 90 14.819 -16.882 3.477 1.00 60.31 H new ATOM 0 HB3 GLN A 90 13.636 -18.106 3.893 1.00 60.31 H new ATOM 0 HG2 GLN A 90 13.044 -16.721 1.357 1.00 74.40 H new ATOM 0 HG3 GLN A 90 14.583 -17.559 1.350 1.00 74.40 H new ATOM 0 HE21 GLN A 90 13.496 -18.872 -0.335 1.00 73.21 H new ATOM 0 HE22 GLN A 90 12.506 -20.242 0.180 1.00 73.21 H new ATOM 1428 N ARG A 91 12.794 -17.080 6.039 1.00 74.04 N ATOM 1429 CA ARG A 91 12.174 -17.597 7.253 1.00 33.40 C ATOM 1430 C ARG A 91 13.232 -18.045 8.257 1.00 21.43 C ATOM 1431 O ARG A 91 13.053 -17.904 9.467 1.00 31.42 O ATOM 1432 CB ARG A 91 11.245 -18.766 6.919 1.00 14.31 C ATOM 1433 CG ARG A 91 9.793 -18.516 7.290 1.00 31.23 C ATOM 1434 CD ARG A 91 8.859 -19.466 6.556 1.00 20.33 C ATOM 1435 NE ARG A 91 7.486 -18.968 6.525 1.00 72.42 N ATOM 1436 CZ ARG A 91 7.079 -17.984 5.732 1.00 23.23 C ATOM 1437 NH1 ARG A 91 7.936 -17.394 4.909 1.00 35.54 N ATOM 1438 NH2 ARG A 91 5.813 -17.587 5.761 1.00 50.10 N ATOM 0 H ARG A 91 13.814 -17.106 6.042 1.00 74.04 H new ATOM 0 HA ARG A 91 11.590 -16.794 7.702 1.00 33.40 H new ATOM 0 HB2 ARG A 91 11.307 -18.975 5.851 1.00 14.31 H new ATOM 0 HB3 ARG A 91 11.596 -19.658 7.439 1.00 14.31 H new ATOM 0 HG2 ARG A 91 9.665 -18.637 8.366 1.00 31.23 H new ATOM 0 HG3 ARG A 91 9.527 -17.486 7.051 1.00 31.23 H new ATOM 0 HD2 ARG A 91 9.216 -19.609 5.536 1.00 20.33 H new ATOM 0 HD3 ARG A 91 8.880 -20.442 7.041 1.00 20.33 H new ATOM 0 HE ARG A 91 6.802 -19.400 7.147 1.00 72.42 H new ATOM 0 HH11 ARG A 91 8.910 -17.696 4.884 1.00 35.54 H new ATOM 0 HH12 ARG A 91 7.621 -16.638 4.301 1.00 35.54 H new ATOM 0 HH21 ARG A 91 5.151 -18.038 6.393 1.00 50.10 H new ATOM 0 HH22 ARG A 91 5.502 -16.831 5.151 1.00 50.10 H new ATOM 1452 N ILE A 92 14.333 -18.585 7.746 1.00 45.02 N ATOM 1453 CA ILE A 92 15.420 -19.052 8.597 1.00 20.30 C ATOM 1454 C ILE A 92 15.849 -17.971 9.584 1.00 74.03 C ATOM 1455 O ILE A 92 16.066 -16.821 9.205 1.00 61.02 O ATOM 1456 CB ILE A 92 16.641 -19.486 7.765 1.00 22.10 C ATOM 1457 CG1 ILE A 92 16.244 -20.574 6.766 1.00 11.02 C ATOM 1458 CG2 ILE A 92 17.755 -19.977 8.676 1.00 40.25 C ATOM 1459 CD1 ILE A 92 16.610 -20.243 5.336 1.00 54.25 C ATOM 0 H ILE A 92 14.496 -18.710 6.747 1.00 45.02 H new ATOM 0 HA ILE A 92 15.042 -19.914 9.147 1.00 20.30 H new ATOM 0 HB ILE A 92 17.007 -18.624 7.208 1.00 22.10 H new ATOM 0 HG12 ILE A 92 16.727 -21.509 7.049 1.00 11.02 H new ATOM 0 HG13 ILE A 92 15.168 -20.739 6.829 1.00 11.02 H new ATOM 0 HG21 ILE A 92 18.611 -20.280 8.073 1.00 40.25 H new ATOM 0 HG22 ILE A 92 18.053 -19.175 9.351 1.00 40.25 H new ATOM 0 HG23 ILE A 92 17.401 -20.828 9.257 1.00 40.25 H new ATOM 0 HD11 ILE A 92 16.299 -21.058 4.683 1.00 54.25 H new ATOM 0 HD12 ILE A 92 16.106 -19.324 5.035 1.00 54.25 H new ATOM 0 HD13 ILE A 92 17.689 -20.107 5.259 1.00 54.25 H new ATOM 1471 N ASP A 93 15.970 -18.351 10.852 1.00 3.43 N ATOM 1472 CA ASP A 93 16.377 -17.414 11.894 1.00 13.04 C ATOM 1473 C ASP A 93 17.589 -17.942 12.655 1.00 24.32 C ATOM 1474 O ASP A 93 17.545 -18.112 13.873 1.00 63.20 O ATOM 1475 CB ASP A 93 15.220 -17.163 12.863 1.00 43.13 C ATOM 1476 CG ASP A 93 14.398 -18.411 13.120 1.00 2.51 C ATOM 1477 OD1 ASP A 93 14.900 -19.320 13.815 1.00 23.34 O ATOM 1478 OD2 ASP A 93 13.254 -18.480 12.625 1.00 4.42 O ATOM 0 H ASP A 93 15.792 -19.299 11.183 1.00 3.43 H new ATOM 0 HA ASP A 93 16.652 -16.473 11.417 1.00 13.04 H new ATOM 0 HB2 ASP A 93 15.616 -16.791 13.808 1.00 43.13 H new ATOM 0 HB3 ASP A 93 14.574 -16.383 12.459 1.00 43.13 H new ATOM 1483 N VAL A 94 18.672 -18.200 11.928 1.00 75.00 N ATOM 1484 CA VAL A 94 19.896 -18.709 12.534 1.00 23.12 C ATOM 1485 C VAL A 94 20.328 -17.840 13.711 1.00 43.03 C ATOM 1486 O VAL A 94 19.842 -16.722 13.883 1.00 41.45 O ATOM 1487 CB VAL A 94 21.044 -18.774 11.510 1.00 42.23 C ATOM 1488 CG1 VAL A 94 20.719 -19.766 10.404 1.00 21.31 C ATOM 1489 CG2 VAL A 94 21.323 -17.394 10.934 1.00 1.33 C ATOM 0 H VAL A 94 18.726 -18.065 10.918 1.00 75.00 H new ATOM 0 HA VAL A 94 19.679 -19.716 12.889 1.00 23.12 H new ATOM 0 HB VAL A 94 21.943 -19.118 12.021 1.00 42.23 H new ATOM 0 HG11 VAL A 94 21.542 -19.798 9.690 1.00 21.31 H new ATOM 0 HG12 VAL A 94 20.574 -20.757 10.835 1.00 21.31 H new ATOM 0 HG13 VAL A 94 19.808 -19.456 9.893 1.00 21.31 H new ATOM 0 HG21 VAL A 94 22.137 -17.459 10.212 1.00 1.33 H new ATOM 0 HG22 VAL A 94 20.428 -17.019 10.438 1.00 1.33 H new ATOM 0 HG23 VAL A 94 21.604 -16.714 11.738 1.00 1.33 H new ATOM 1499 N LYS A 95 21.245 -18.362 14.519 1.00 30.14 N ATOM 1500 CA LYS A 95 21.746 -17.635 15.680 1.00 13.02 C ATOM 1501 C LYS A 95 22.889 -16.705 15.287 1.00 21.25 C ATOM 1502 O LYS A 95 22.918 -15.539 15.684 1.00 74.53 O ATOM 1503 CB LYS A 95 22.218 -18.614 16.756 1.00 53.33 C ATOM 1504 CG LYS A 95 21.092 -19.168 17.612 1.00 14.05 C ATOM 1505 CD LYS A 95 20.694 -18.194 18.707 1.00 30.42 C ATOM 1506 CE LYS A 95 19.361 -17.525 18.402 1.00 55.00 C ATOM 1507 NZ LYS A 95 19.010 -16.498 19.421 1.00 52.13 N ATOM 0 H LYS A 95 21.657 -19.286 14.391 1.00 30.14 H new ATOM 0 HA LYS A 95 20.931 -17.032 16.079 1.00 13.02 H new ATOM 0 HB2 LYS A 95 22.740 -19.442 16.277 1.00 53.33 H new ATOM 0 HB3 LYS A 95 22.940 -18.112 17.401 1.00 53.33 H new ATOM 0 HG2 LYS A 95 20.228 -19.383 16.983 1.00 14.05 H new ATOM 0 HG3 LYS A 95 21.404 -20.112 18.059 1.00 14.05 H new ATOM 0 HD2 LYS A 95 20.628 -18.722 19.658 1.00 30.42 H new ATOM 0 HD3 LYS A 95 21.467 -17.433 18.817 1.00 30.42 H new ATOM 0 HE2 LYS A 95 19.405 -17.059 17.417 1.00 55.00 H new ATOM 0 HE3 LYS A 95 18.576 -18.280 18.362 1.00 55.00 H new ATOM 0 HZ1 LYS A 95 18.096 -16.066 19.178 1.00 52.13 H new ATOM 0 HZ2 LYS A 95 18.943 -16.946 20.357 1.00 52.13 H new ATOM 0 HZ3 LYS A 95 19.746 -15.763 19.441 1.00 52.13 H new ATOM 1521 N ASP A 96 23.827 -17.225 14.504 1.00 70.15 N ATOM 1522 CA ASP A 96 24.971 -16.440 14.057 1.00 0.41 C ATOM 1523 C ASP A 96 25.042 -16.403 12.533 1.00 15.22 C ATOM 1524 O ASP A 96 24.134 -16.874 11.846 1.00 64.11 O ATOM 1525 CB ASP A 96 26.268 -17.017 14.626 1.00 23.23 C ATOM 1526 CG ASP A 96 26.516 -18.442 14.172 1.00 53.34 C ATOM 1527 OD1 ASP A 96 25.919 -19.365 14.763 1.00 73.22 O ATOM 1528 OD2 ASP A 96 27.308 -18.634 13.225 1.00 43.12 O ATOM 0 H ASP A 96 23.818 -18.187 14.166 1.00 70.15 H new ATOM 0 HA ASP A 96 24.846 -15.421 14.423 1.00 0.41 H new ATOM 0 HB2 ASP A 96 27.106 -16.390 14.320 1.00 23.23 H new ATOM 0 HB3 ASP A 96 26.228 -16.987 15.715 1.00 23.23 H new ATOM 1533 N THR A 97 26.127 -15.841 12.010 1.00 14.25 N ATOM 1534 CA THR A 97 26.315 -15.741 10.567 1.00 40.34 C ATOM 1535 C THR A 97 26.687 -17.092 9.966 1.00 62.44 C ATOM 1536 O THR A 97 26.154 -17.491 8.931 1.00 72.13 O ATOM 1537 CB THR A 97 27.411 -14.717 10.214 1.00 31.45 C ATOM 1538 OG1 THR A 97 27.073 -13.434 10.752 1.00 2.13 O ATOM 1539 CG2 THR A 97 27.585 -14.611 8.706 1.00 65.41 C ATOM 0 H THR A 97 26.889 -15.448 12.563 1.00 14.25 H new ATOM 0 HA THR A 97 25.366 -15.408 10.147 1.00 40.34 H new ATOM 0 HB THR A 97 28.351 -15.057 10.650 1.00 31.45 H new ATOM 0 HG1 THR A 97 27.817 -13.101 11.297 1.00 2.13 H new ATOM 0 HG21 THR A 97 28.364 -13.883 8.480 1.00 65.41 H new ATOM 0 HG22 THR A 97 27.870 -15.583 8.303 1.00 65.41 H new ATOM 0 HG23 THR A 97 26.647 -14.291 8.253 1.00 65.41 H new ATOM 1547 N LYS A 98 27.605 -17.795 10.622 1.00 62.42 N ATOM 1548 CA LYS A 98 28.047 -19.103 10.155 1.00 21.43 C ATOM 1549 C LYS A 98 26.867 -20.061 10.025 1.00 75.24 C ATOM 1550 O LYS A 98 26.728 -20.754 9.018 1.00 73.30 O ATOM 1551 CB LYS A 98 29.088 -19.685 11.114 1.00 35.41 C ATOM 1552 CG LYS A 98 29.989 -20.727 10.473 1.00 44.04 C ATOM 1553 CD LYS A 98 31.204 -20.087 9.821 1.00 60.32 C ATOM 1554 CE LYS A 98 32.471 -20.877 10.109 1.00 61.01 C ATOM 1555 NZ LYS A 98 33.293 -21.074 8.883 1.00 11.22 N ATOM 0 H LYS A 98 28.057 -17.479 11.480 1.00 62.42 H new ATOM 0 HA LYS A 98 28.500 -18.976 9.171 1.00 21.43 H new ATOM 0 HB2 LYS A 98 29.704 -18.875 11.504 1.00 35.41 H new ATOM 0 HB3 LYS A 98 28.575 -20.134 11.965 1.00 35.41 H new ATOM 0 HG2 LYS A 98 30.314 -21.442 11.228 1.00 44.04 H new ATOM 0 HG3 LYS A 98 29.426 -21.286 9.726 1.00 44.04 H new ATOM 0 HD2 LYS A 98 31.050 -20.025 8.744 1.00 60.32 H new ATOM 0 HD3 LYS A 98 31.319 -19.066 10.186 1.00 60.32 H new ATOM 0 HE2 LYS A 98 33.061 -20.355 10.862 1.00 61.01 H new ATOM 0 HE3 LYS A 98 32.206 -21.848 10.528 1.00 61.01 H new ATOM 0 HZ1 LYS A 98 34.148 -21.617 9.121 1.00 11.22 H new ATOM 0 HZ2 LYS A 98 32.739 -21.595 8.173 1.00 11.22 H new ATOM 0 HZ3 LYS A 98 33.567 -20.148 8.497 1.00 11.22 H new ATOM 1569 N GLU A 99 26.021 -20.093 11.051 1.00 73.11 N ATOM 1570 CA GLU A 99 24.853 -20.967 11.049 1.00 52.23 C ATOM 1571 C GLU A 99 24.032 -20.776 9.778 1.00 10.14 C ATOM 1572 O GLU A 99 23.503 -21.735 9.218 1.00 21.34 O ATOM 1573 CB GLU A 99 23.983 -20.694 12.278 1.00 51.22 C ATOM 1574 CG GLU A 99 24.301 -21.593 13.461 1.00 2.02 C ATOM 1575 CD GLU A 99 23.666 -22.964 13.339 1.00 13.12 C ATOM 1576 OE1 GLU A 99 23.151 -23.285 12.248 1.00 20.23 O ATOM 1577 OE2 GLU A 99 23.685 -23.718 14.335 1.00 3.31 O ATOM 0 H GLU A 99 26.122 -19.525 11.892 1.00 73.11 H new ATOM 0 HA GLU A 99 25.203 -21.999 11.082 1.00 52.23 H new ATOM 0 HB2 GLU A 99 24.110 -19.654 12.579 1.00 51.22 H new ATOM 0 HB3 GLU A 99 22.935 -20.822 12.007 1.00 51.22 H new ATOM 0 HG2 GLU A 99 25.382 -21.704 13.548 1.00 2.02 H new ATOM 0 HG3 GLU A 99 23.955 -21.117 14.378 1.00 2.02 H new ATOM 1584 N ALA A 100 23.930 -19.529 9.328 1.00 60.25 N ATOM 1585 CA ALA A 100 23.175 -19.211 8.123 1.00 43.33 C ATOM 1586 C ALA A 100 23.868 -19.761 6.880 1.00 33.12 C ATOM 1587 O ALA A 100 23.213 -20.130 5.905 1.00 13.31 O ATOM 1588 CB ALA A 100 22.985 -17.706 8.001 1.00 14.24 C ATOM 0 H ALA A 100 24.361 -18.723 9.781 1.00 60.25 H new ATOM 0 HA ALA A 100 22.196 -19.685 8.201 1.00 43.33 H new ATOM 0 HB1 ALA A 100 22.419 -17.483 7.096 1.00 14.24 H new ATOM 0 HB2 ALA A 100 22.440 -17.336 8.870 1.00 14.24 H new ATOM 0 HB3 ALA A 100 23.959 -17.219 7.949 1.00 14.24 H new ATOM 1594 N LEU A 101 25.194 -19.812 6.922 1.00 2.33 N ATOM 1595 CA LEU A 101 25.976 -20.318 5.798 1.00 25.34 C ATOM 1596 C LEU A 101 25.772 -21.818 5.623 1.00 33.45 C ATOM 1597 O LEU A 101 25.548 -22.299 4.512 1.00 44.23 O ATOM 1598 CB LEU A 101 27.461 -20.014 6.008 1.00 12.24 C ATOM 1599 CG LEU A 101 28.197 -19.407 4.812 1.00 23.41 C ATOM 1600 CD1 LEU A 101 28.054 -20.298 3.589 1.00 53.10 C ATOM 1601 CD2 LEU A 101 27.675 -18.008 4.520 1.00 51.41 C ATOM 0 H LEU A 101 25.751 -19.510 7.721 1.00 2.33 H new ATOM 0 HA LEU A 101 25.632 -19.817 4.893 1.00 25.34 H new ATOM 0 HB2 LEU A 101 27.556 -19.331 6.852 1.00 12.24 H new ATOM 0 HB3 LEU A 101 27.965 -20.939 6.288 1.00 12.24 H new ATOM 0 HG LEU A 101 29.256 -19.334 5.060 1.00 23.41 H new ATOM 0 HD11 LEU A 101 28.584 -19.850 2.748 1.00 53.10 H new ATOM 0 HD12 LEU A 101 28.477 -21.280 3.803 1.00 53.10 H new ATOM 0 HD13 LEU A 101 26.999 -20.404 3.338 1.00 53.10 H new ATOM 0 HD21 LEU A 101 28.209 -17.591 3.666 1.00 51.41 H new ATOM 0 HD22 LEU A 101 26.610 -18.057 4.293 1.00 51.41 H new ATOM 0 HD23 LEU A 101 27.831 -17.372 5.392 1.00 51.41 H new ATOM 1613 N ASP A 102 25.847 -22.553 6.728 1.00 3.44 N ATOM 1614 CA ASP A 102 25.666 -24.000 6.697 1.00 60.14 C ATOM 1615 C ASP A 102 24.292 -24.365 6.145 1.00 45.43 C ATOM 1616 O ASP A 102 24.108 -25.436 5.565 1.00 64.34 O ATOM 1617 CB ASP A 102 25.839 -24.586 8.099 1.00 23.30 C ATOM 1618 CG ASP A 102 27.261 -24.463 8.608 1.00 52.42 C ATOM 1619 OD1 ASP A 102 27.843 -23.366 8.483 1.00 5.53 O ATOM 1620 OD2 ASP A 102 27.794 -25.465 9.130 1.00 22.11 O ATOM 0 H ASP A 102 26.032 -22.171 7.655 1.00 3.44 H new ATOM 0 HA ASP A 102 26.425 -24.423 6.038 1.00 60.14 H new ATOM 0 HB2 ASP A 102 25.165 -24.077 8.788 1.00 23.30 H new ATOM 0 HB3 ASP A 102 25.550 -25.637 8.088 1.00 23.30 H new ATOM 1625 N LYS A 103 23.329 -23.468 6.328 1.00 41.31 N ATOM 1626 CA LYS A 103 21.971 -23.693 5.849 1.00 53.11 C ATOM 1627 C LYS A 103 21.879 -23.462 4.343 1.00 61.25 C ATOM 1628 O LYS A 103 21.520 -24.366 3.589 1.00 3.42 O ATOM 1629 CB LYS A 103 20.991 -22.771 6.577 1.00 52.04 C ATOM 1630 CG LYS A 103 19.641 -23.411 6.849 1.00 35.00 C ATOM 1631 CD LYS A 103 19.759 -24.568 7.827 1.00 32.12 C ATOM 1632 CE LYS A 103 18.921 -25.759 7.386 1.00 11.40 C ATOM 1633 NZ LYS A 103 19.123 -26.938 8.272 1.00 52.03 N ATOM 0 H LYS A 103 23.465 -22.577 6.806 1.00 41.31 H new ATOM 0 HA LYS A 103 21.707 -24.730 6.057 1.00 53.11 H new ATOM 0 HB2 LYS A 103 21.433 -22.459 7.523 1.00 52.04 H new ATOM 0 HB3 LYS A 103 20.843 -21.870 5.982 1.00 52.04 H new ATOM 0 HG2 LYS A 103 18.957 -22.663 7.250 1.00 35.00 H new ATOM 0 HG3 LYS A 103 19.211 -23.767 5.913 1.00 35.00 H new ATOM 0 HD2 LYS A 103 20.803 -24.868 7.912 1.00 32.12 H new ATOM 0 HD3 LYS A 103 19.439 -24.243 8.817 1.00 32.12 H new ATOM 0 HE2 LYS A 103 17.867 -25.481 7.386 1.00 11.40 H new ATOM 0 HE3 LYS A 103 19.180 -26.026 6.362 1.00 11.40 H new ATOM 0 HZ1 LYS A 103 18.535 -27.728 7.938 1.00 52.03 H new ATOM 0 HZ2 LYS A 103 20.124 -27.219 8.253 1.00 52.03 H new ATOM 0 HZ3 LYS A 103 18.851 -26.692 9.245 1.00 52.03 H new ATOM 1647 N ILE A 104 22.209 -22.249 3.915 1.00 24.41 N ATOM 1648 CA ILE A 104 22.166 -21.901 2.500 1.00 61.43 C ATOM 1649 C ILE A 104 23.060 -22.824 1.680 1.00 54.10 C ATOM 1650 O ILE A 104 22.683 -23.265 0.595 1.00 3.30 O ATOM 1651 CB ILE A 104 22.601 -20.442 2.265 1.00 70.11 C ATOM 1652 CG1 ILE A 104 21.718 -19.487 3.071 1.00 33.15 C ATOM 1653 CG2 ILE A 104 22.542 -20.103 0.783 1.00 74.53 C ATOM 1654 CD1 ILE A 104 22.249 -18.072 3.124 1.00 32.31 C ATOM 0 H ILE A 104 22.509 -21.490 4.527 1.00 24.41 H new ATOM 0 HA ILE A 104 21.132 -22.019 2.177 1.00 61.43 H new ATOM 0 HB ILE A 104 23.631 -20.327 2.603 1.00 70.11 H new ATOM 0 HG12 ILE A 104 20.719 -19.475 2.636 1.00 33.15 H new ATOM 0 HG13 ILE A 104 21.619 -19.868 4.088 1.00 33.15 H new ATOM 0 HG21 ILE A 104 22.852 -19.069 0.634 1.00 74.53 H new ATOM 0 HG22 ILE A 104 23.209 -20.765 0.231 1.00 74.53 H new ATOM 0 HG23 ILE A 104 21.522 -20.232 0.421 1.00 74.53 H new ATOM 0 HD11 ILE A 104 21.572 -17.451 3.711 1.00 32.31 H new ATOM 0 HD12 ILE A 104 23.236 -18.071 3.586 1.00 32.31 H new ATOM 0 HD13 ILE A 104 22.322 -17.673 2.112 1.00 32.31 H new