USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 752 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 76 LYS NZ :NH3+ 179:sc= 1.12 (180deg=-0.0868) USER MOD Set 1.2: A 77 SER OG : rot 150:sc= 0.992 USER MOD Set 1.3: A 79 MET CE :methyl 164:sc= -0.668 (180deg=-1.35) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 177:sc= 2.15 (180deg=1.22) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0.677 USER MOD Set 3.1: A 59 SER OG : rot 80:sc= 0.647 USER MOD Set 3.2: A 115 SER OG : rot 18:sc= 2.01 USER MOD Set 4.1: A 48 HIS : no HD1:sc= -0.321 K(o=-1,f=-8.3!) USER MOD Set 4.2: A 82 THR OG1 : rot 170:sc= -0.692 USER MOD Set 5.1: A 34 LYS NZ :NH3+ 157:sc= 2.46 (180deg=1.06) USER MOD Set 5.2: A 36 THR OG1 : rot -170:sc= 0.966 USER MOD Set 6.1: A 27 ASN : amide:sc= 2.03 K(o=2,f=-0.98) USER MOD Set 6.2: A 30 MET CE :methyl -179:sc=-0.00141 (180deg=-0.00161) USER MOD Set 7.1: A 21 SER OG : rot 36:sc= 1.47 USER MOD Set 7.2: A 23 SER OG : rot 180:sc= 0.706 USER MOD Set 7.3: A 24 ASN : amide:sc= -0.099 K(o=2.1,f=1.1) USER MOD Set 8.1: A 13 MET CE :methyl 148:sc= -0.766 (180deg=-2.97) USER MOD Set 8.2: A 15 SER OG : rot -145:sc= 1.65 USER MOD Set 9.1: A 1 LYS NZ :NH3+ 156:sc= 1.2 (180deg=0.853) USER MOD Set 9.2: A 3 SER OG : rot 180:sc= 0.88 USER MOD Single : A 1 LYS N :NH3+ 132:sc= 0.113 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.2 (180deg=0.937) USER MOD Single : A 11 GLN : amide:sc= 0.00269 X(o=0.0027,f=-0.29) USER MOD Single : A 12 HIS : no HE2:sc= -3 K(o=-3,f=-7!) USER MOD Single : A 17 ASN : amide:sc= 0.145 K(o=0.14,f=-3.6!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0639 USER MOD Single : A 20 SER OG : rot -34:sc= 1.31 USER MOD Single : A 22 SER OG : rot -134:sc= 0.483 USER MOD Single : A 25 TYR OH : rot 138:sc= 1.13 USER MOD Single : A 29 MET CE :methyl 143:sc= -0.193 (180deg=-2.86) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 171:sc= -0.106 (180deg=-0.231) USER MOD Single : A 37 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= 1.24 (180deg=0.437) USER MOD Single : A 44 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.1!) USER MOD Single : A 45 THR OG1 : rot -50:sc= 1.25 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= 0.814 (180deg=-1.91!) USER MOD Single : A 60 GLN : amide:sc= 0.404 K(o=0.4,f=-0.46) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 142:sc= -0.374 (180deg=-1.64) USER MOD Single : A 69 GLN : amide:sc= -0.591 K(o=-0.59,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 71 ASN : amide:sc=-0.000643 K(o=-0.00064,f=-0.52) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 87:sc= 0.67 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00821 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 156:sc= 1.27 USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0134) USER MOD Single : A 92 TYR OH : rot 34:sc= 0.221 USER MOD Single : A 94 ASN : amide:sc= -0.0944 X(o=-0.094,f=0) USER MOD Single : A 97 TYR OH : rot -15:sc= 0.749 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 60:sc= 0.553 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -153:sc= 2.15 (180deg=0.0876) USER MOD Single : A 105 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-3.5!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.866 K(o=0.87,f=-3.4!) USER MOD Single : A 123 SER OG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.628 9.555 18.427 1.00 0.00 N ATOM 2 CA LYS A 1 3.220 10.798 17.752 1.00 0.00 C ATOM 3 C LYS A 1 2.911 10.457 16.299 1.00 0.00 C ATOM 4 O LYS A 1 3.576 9.579 15.754 1.00 0.00 O ATOM 5 CB LYS A 1 4.320 11.874 17.865 1.00 0.00 C ATOM 6 CG LYS A 1 4.223 12.966 16.786 1.00 0.00 C ATOM 7 CD LYS A 1 5.105 14.181 17.103 1.00 0.00 C ATOM 8 CE LYS A 1 5.429 15.024 15.855 1.00 0.00 C ATOM 9 NZ LYS A 1 4.286 15.191 14.928 1.00 0.00 N ATOM 0 H1 LYS A 1 4.500 9.724 18.968 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.874 9.247 19.073 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.799 8.815 17.717 1.00 0.00 H new ATOM 0 HA LYS A 1 2.332 11.216 18.227 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.262 12.340 18.849 1.00 0.00 H new ATOM 0 HB3 LYS A 1 5.296 11.393 17.797 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.517 12.549 15.823 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.186 13.288 16.691 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.601 14.808 17.839 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.035 13.840 17.558 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.772 16.008 16.173 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.254 14.557 15.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.422 16.052 14.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.227 14.366 14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 3.405 15.272 15.474 1.00 0.00 H new ATOM 18 N GLU A 2 1.937 11.144 15.697 1.00 0.00 N ATOM 19 CA GLU A 2 1.666 11.096 14.270 1.00 0.00 C ATOM 20 C GLU A 2 2.378 12.270 13.592 1.00 0.00 C ATOM 21 O GLU A 2 2.569 13.324 14.205 1.00 0.00 O ATOM 22 CB GLU A 2 0.148 11.136 14.050 1.00 0.00 C ATOM 23 CG GLU A 2 -0.216 11.190 12.561 1.00 0.00 C ATOM 24 CD GLU A 2 -1.673 10.833 12.320 1.00 0.00 C ATOM 25 OE1 GLU A 2 -2.134 9.792 12.839 1.00 0.00 O ATOM 26 OE2 GLU A 2 -2.347 11.556 11.555 1.00 0.00 O ATOM 0 H GLU A 2 1.304 11.761 16.206 1.00 0.00 H new ATOM 0 HA GLU A 2 2.043 10.174 13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.307 10.255 14.503 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.269 12.006 14.557 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.019 12.190 12.175 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.423 10.503 12.006 1.00 0.00 H new ATOM 31 N SER A 3 2.770 12.078 12.331 1.00 0.00 N ATOM 32 CA SER A 3 3.345 13.103 11.472 1.00 0.00 C ATOM 33 C SER A 3 3.039 12.755 10.010 1.00 0.00 C ATOM 34 O SER A 3 3.928 12.834 9.167 1.00 0.00 O ATOM 35 CB SER A 3 4.857 13.194 11.708 1.00 0.00 C ATOM 36 OG SER A 3 5.172 13.446 13.069 1.00 0.00 O ATOM 0 H SER A 3 2.691 11.172 11.868 1.00 0.00 H new ATOM 0 HA SER A 3 2.908 14.074 11.705 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.329 12.263 11.394 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.273 13.988 11.087 1.00 0.00 H new ATOM 0 HG SER A 3 6.145 13.495 13.176 1.00 0.00 H new ATOM 41 N ALA A 4 1.804 12.312 9.731 1.00 0.00 N ATOM 42 CA ALA A 4 1.349 11.781 8.445 1.00 0.00 C ATOM 43 C ALA A 4 2.071 10.480 8.079 1.00 0.00 C ATOM 44 O ALA A 4 1.449 9.417 8.049 1.00 0.00 O ATOM 45 CB ALA A 4 1.435 12.835 7.332 1.00 0.00 C ATOM 0 H ALA A 4 1.063 12.316 10.432 1.00 0.00 H new ATOM 0 HA ALA A 4 0.294 11.529 8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.089 12.402 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.809 13.689 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.468 13.163 7.221 1.00 0.00 H new ATOM 51 N ALA A 5 3.382 10.559 7.831 1.00 0.00 N ATOM 52 CA ALA A 5 4.233 9.439 7.459 1.00 0.00 C ATOM 53 C ALA A 5 3.957 8.224 8.341 1.00 0.00 C ATOM 54 O ALA A 5 3.539 7.184 7.846 1.00 0.00 O ATOM 55 CB ALA A 5 5.704 9.857 7.522 1.00 0.00 C ATOM 0 H ALA A 5 3.893 11.440 7.888 1.00 0.00 H new ATOM 0 HA ALA A 5 4.004 9.149 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.334 9.013 7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.877 10.684 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.949 10.173 8.536 1.00 0.00 H new ATOM 61 N ALA A 6 4.130 8.377 9.657 1.00 0.00 N ATOM 62 CA ALA A 6 3.919 7.303 10.621 1.00 0.00 C ATOM 63 C ALA A 6 2.547 6.635 10.458 1.00 0.00 C ATOM 64 O ALA A 6 2.432 5.415 10.542 1.00 0.00 O ATOM 65 CB ALA A 6 4.087 7.854 12.039 1.00 0.00 C ATOM 0 H ALA A 6 4.422 9.257 10.082 1.00 0.00 H new ATOM 0 HA ALA A 6 4.666 6.531 10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.930 7.053 12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.093 8.256 12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.358 8.646 12.210 1.00 0.00 H new ATOM 71 N LYS A 7 1.497 7.429 10.237 1.00 0.00 N ATOM 72 CA LYS A 7 0.139 6.925 10.104 1.00 0.00 C ATOM 73 C LYS A 7 0.045 6.102 8.820 1.00 0.00 C ATOM 74 O LYS A 7 -0.323 4.929 8.852 1.00 0.00 O ATOM 75 CB LYS A 7 -0.813 8.128 10.061 1.00 0.00 C ATOM 76 CG LYS A 7 -2.298 7.778 10.189 1.00 0.00 C ATOM 77 CD LYS A 7 -3.135 8.893 9.537 1.00 0.00 C ATOM 78 CE LYS A 7 -4.481 9.118 10.238 1.00 0.00 C ATOM 79 NZ LYS A 7 -4.316 9.890 11.486 1.00 0.00 N ATOM 0 H LYS A 7 1.571 8.442 10.146 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.133 6.285 10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.545 8.814 10.865 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.660 8.661 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.502 6.823 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.570 7.669 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.565 9.822 9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.313 8.642 8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.158 9.647 9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.942 8.156 10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.236 9.981 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.649 9.397 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.946 10.836 11.263 1.00 0.00 H new ATOM 89 N PHE A 8 0.391 6.727 7.691 1.00 0.00 N ATOM 90 CA PHE A 8 0.391 6.097 6.377 1.00 0.00 C ATOM 91 C PHE A 8 1.164 4.774 6.425 1.00 0.00 C ATOM 92 O PHE A 8 0.705 3.741 5.928 1.00 0.00 O ATOM 93 CB PHE A 8 0.970 7.079 5.343 1.00 0.00 C ATOM 94 CG PHE A 8 1.932 6.459 4.353 1.00 0.00 C ATOM 95 CD1 PHE A 8 1.461 5.590 3.355 1.00 0.00 C ATOM 96 CD2 PHE A 8 3.315 6.581 4.569 1.00 0.00 C ATOM 97 CE1 PHE A 8 2.377 4.957 2.502 1.00 0.00 C ATOM 98 CE2 PHE A 8 4.222 5.877 3.769 1.00 0.00 C ATOM 99 CZ PHE A 8 3.755 5.138 2.674 1.00 0.00 C ATOM 0 H PHE A 8 0.684 7.704 7.669 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.628 5.857 6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.146 7.534 4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.482 7.883 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.402 5.411 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.680 7.222 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.016 4.324 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.278 5.903 3.995 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.452 4.711 1.968 1.00 0.00 H new ATOM 108 N GLU A 9 2.359 4.805 7.009 1.00 0.00 N ATOM 109 CA GLU A 9 3.166 3.636 7.275 1.00 0.00 C ATOM 110 C GLU A 9 2.345 2.612 8.017 1.00 0.00 C ATOM 111 O GLU A 9 2.067 1.555 7.467 1.00 0.00 O ATOM 112 CB GLU A 9 4.437 3.998 8.043 1.00 0.00 C ATOM 113 CG GLU A 9 5.442 4.510 7.014 1.00 0.00 C ATOM 114 CD GLU A 9 6.789 4.842 7.613 1.00 0.00 C ATOM 115 OE1 GLU A 9 6.851 5.502 8.675 1.00 0.00 O ATOM 116 OE2 GLU A 9 7.803 4.414 7.021 1.00 0.00 O ATOM 0 H GLU A 9 2.798 5.673 7.316 1.00 0.00 H new ATOM 0 HA GLU A 9 3.484 3.206 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.231 4.760 8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.831 3.129 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.573 3.757 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.037 5.399 6.531 1.00 0.00 H new ATOM 121 N ARG A 10 1.938 2.920 9.243 1.00 0.00 N ATOM 122 CA ARG A 10 1.331 1.912 10.083 1.00 0.00 C ATOM 123 C ARG A 10 0.043 1.352 9.461 1.00 0.00 C ATOM 124 O ARG A 10 -0.324 0.213 9.735 1.00 0.00 O ATOM 125 CB ARG A 10 1.081 2.482 11.484 1.00 0.00 C ATOM 126 CG ARG A 10 2.397 2.846 12.196 1.00 0.00 C ATOM 127 CD ARG A 10 3.029 1.638 12.892 1.00 0.00 C ATOM 128 NE ARG A 10 2.244 1.253 14.072 1.00 0.00 N ATOM 129 CZ ARG A 10 2.517 0.197 14.858 1.00 0.00 C ATOM 130 NH1 ARG A 10 3.523 -0.625 14.540 1.00 0.00 N ATOM 131 NH2 ARG A 10 1.788 -0.030 15.956 1.00 0.00 N ATOM 0 H ARG A 10 2.018 3.845 9.666 1.00 0.00 H new ATOM 0 HA ARG A 10 2.023 1.074 10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.451 3.368 11.409 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.534 1.752 12.081 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.100 3.254 11.470 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.207 3.628 12.931 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.086 0.800 12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.050 1.876 13.190 1.00 0.00 H new ATOM 0 HE ARG A 10 1.435 1.827 14.312 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.080 -0.450 13.704 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.733 -1.427 15.134 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.023 0.599 16.199 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.997 -0.832 16.550 1.00 0.00 H new ATOM 142 N GLN A 11 -0.654 2.149 8.642 1.00 0.00 N ATOM 143 CA GLN A 11 -1.832 1.711 7.908 1.00 0.00 C ATOM 144 C GLN A 11 -1.484 0.789 6.732 1.00 0.00 C ATOM 145 O GLN A 11 -2.163 -0.215 6.546 1.00 0.00 O ATOM 146 CB GLN A 11 -2.642 2.924 7.433 1.00 0.00 C ATOM 147 CG GLN A 11 -3.319 3.640 8.610 1.00 0.00 C ATOM 148 CD GLN A 11 -4.135 4.838 8.135 1.00 0.00 C ATOM 149 OE1 GLN A 11 -3.588 5.816 7.637 1.00 0.00 O ATOM 150 NE2 GLN A 11 -5.455 4.783 8.288 1.00 0.00 N ATOM 0 H GLN A 11 -0.408 3.124 8.473 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.441 1.122 8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.986 3.620 6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.398 2.601 6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.968 2.942 9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.562 3.972 9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.886 3.958 8.705 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.036 5.566 7.988 1.00 0.00 H new ATOM 157 N HIS A 12 -0.500 1.147 5.897 1.00 0.00 N ATOM 158 CA HIS A 12 -0.249 0.449 4.630 1.00 0.00 C ATOM 159 C HIS A 12 0.835 -0.636 4.749 1.00 0.00 C ATOM 160 O HIS A 12 0.795 -1.657 4.067 1.00 0.00 O ATOM 161 CB HIS A 12 0.082 1.467 3.523 1.00 0.00 C ATOM 162 CG HIS A 12 1.555 1.691 3.312 1.00 0.00 C ATOM 163 ND1 HIS A 12 2.374 2.418 4.147 1.00 0.00 N ATOM 164 CD2 HIS A 12 2.335 1.066 2.381 1.00 0.00 C ATOM 165 CE1 HIS A 12 3.642 2.238 3.731 1.00 0.00 C ATOM 166 NE2 HIS A 12 3.641 1.422 2.658 1.00 0.00 N ATOM 0 H HIS A 12 0.139 1.921 6.078 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.164 -0.078 4.359 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.360 1.126 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.388 2.420 3.769 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.074 2.989 4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.997 0.420 1.584 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.519 2.677 4.184 1.00 0.00 H new ATOM 174 N MET A 13 1.870 -0.368 5.539 1.00 0.00 N ATOM 175 CA MET A 13 3.009 -1.250 5.727 1.00 0.00 C ATOM 176 C MET A 13 2.638 -2.354 6.715 1.00 0.00 C ATOM 177 O MET A 13 2.685 -2.155 7.927 1.00 0.00 O ATOM 178 CB MET A 13 4.216 -0.428 6.189 1.00 0.00 C ATOM 179 CG MET A 13 5.513 -1.233 6.125 1.00 0.00 C ATOM 180 SD MET A 13 6.972 -0.173 6.062 1.00 0.00 S ATOM 181 CE MET A 13 8.238 -1.410 5.736 1.00 0.00 C ATOM 0 H MET A 13 1.938 0.494 6.080 1.00 0.00 H new ATOM 0 HA MET A 13 3.283 -1.732 4.789 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.310 0.461 5.565 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.052 -0.085 7.211 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.577 -1.885 6.996 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.496 -1.877 5.246 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.030 -0.969 5.131 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.655 -1.762 6.680 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.797 -2.250 5.199 1.00 0.00 H new ATOM 189 N ASP A 14 2.263 -3.513 6.176 1.00 0.00 N ATOM 190 CA ASP A 14 1.849 -4.675 6.939 1.00 0.00 C ATOM 191 C ASP A 14 3.092 -5.421 7.428 1.00 0.00 C ATOM 192 O ASP A 14 3.300 -5.599 8.627 1.00 0.00 O ATOM 193 CB ASP A 14 0.935 -5.514 6.039 1.00 0.00 C ATOM 194 CG ASP A 14 0.411 -6.779 6.697 1.00 0.00 C ATOM 195 OD1 ASP A 14 0.129 -6.735 7.909 1.00 0.00 O ATOM 196 OD2 ASP A 14 0.278 -7.768 5.938 1.00 0.00 O ATOM 0 H ASP A 14 2.240 -3.667 5.168 1.00 0.00 H new ATOM 0 HA ASP A 14 1.284 -4.412 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.089 -4.902 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.482 -5.786 5.136 1.00 0.00 H new ATOM 200 N SER A 15 3.970 -5.779 6.487 1.00 0.00 N ATOM 201 CA SER A 15 5.243 -6.438 6.783 1.00 0.00 C ATOM 202 C SER A 15 5.075 -7.726 7.605 1.00 0.00 C ATOM 203 O SER A 15 3.990 -8.301 7.653 1.00 0.00 O ATOM 204 CB SER A 15 6.257 -5.412 7.316 1.00 0.00 C ATOM 205 OG SER A 15 6.585 -4.501 6.278 1.00 0.00 O ATOM 0 H SER A 15 3.815 -5.618 5.492 1.00 0.00 H new ATOM 0 HA SER A 15 5.678 -6.818 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.838 -4.876 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.155 -5.919 7.669 1.00 0.00 H new ATOM 0 HG SER A 15 7.527 -4.242 6.355 1.00 0.00 H new ATOM 210 N GLY A 16 6.171 -8.270 8.145 1.00 0.00 N ATOM 211 CA GLY A 16 6.163 -9.626 8.673 1.00 0.00 C ATOM 212 C GLY A 16 6.064 -10.621 7.510 1.00 0.00 C ATOM 213 O GLY A 16 6.143 -10.231 6.341 1.00 0.00 O ATOM 0 H GLY A 16 7.067 -7.790 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.070 -9.810 9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.322 -9.759 9.353 1.00 0.00 H new ATOM 216 N ASN A 17 5.892 -11.909 7.811 1.00 0.00 N ATOM 217 CA ASN A 17 5.754 -12.961 6.813 1.00 0.00 C ATOM 218 C ASN A 17 5.107 -14.167 7.493 1.00 0.00 C ATOM 219 O ASN A 17 5.116 -14.234 8.721 1.00 0.00 O ATOM 220 CB ASN A 17 7.131 -13.322 6.233 1.00 0.00 C ATOM 221 CG ASN A 17 7.025 -14.340 5.101 1.00 0.00 C ATOM 222 OD1 ASN A 17 5.992 -14.443 4.448 1.00 0.00 O ATOM 223 ND2 ASN A 17 8.083 -15.108 4.862 1.00 0.00 N ATOM 0 H ASN A 17 5.844 -12.252 8.771 1.00 0.00 H new ATOM 0 HA ASN A 17 5.129 -12.629 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.617 -12.419 5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.764 -13.724 7.024 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.049 -15.806 4.119 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.929 -15.000 5.422 1.00 0.00 H new ATOM 229 N SER A 18 4.534 -15.086 6.715 1.00 0.00 N ATOM 230 CA SER A 18 3.893 -16.308 7.180 1.00 0.00 C ATOM 231 C SER A 18 3.570 -17.152 5.937 1.00 0.00 C ATOM 232 O SER A 18 3.751 -16.664 4.818 1.00 0.00 O ATOM 233 CB SER A 18 2.653 -15.972 8.031 1.00 0.00 C ATOM 234 OG SER A 18 2.770 -16.564 9.312 1.00 0.00 O ATOM 0 H SER A 18 4.505 -14.991 5.700 1.00 0.00 H new ATOM 0 HA SER A 18 4.546 -16.885 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.551 -14.891 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.752 -16.334 7.535 1.00 0.00 H new ATOM 0 HG SER A 18 1.979 -16.344 9.847 1.00 0.00 H new ATOM 239 N PRO A 19 3.142 -18.416 6.083 1.00 0.00 N ATOM 240 CA PRO A 19 3.001 -19.326 4.957 1.00 0.00 C ATOM 241 C PRO A 19 1.773 -18.970 4.108 1.00 0.00 C ATOM 242 O PRO A 19 0.729 -19.609 4.210 1.00 0.00 O ATOM 243 CB PRO A 19 2.931 -20.728 5.574 1.00 0.00 C ATOM 244 CG PRO A 19 2.318 -20.473 6.949 1.00 0.00 C ATOM 245 CD PRO A 19 2.898 -19.113 7.338 1.00 0.00 C ATOM 0 HA PRO A 19 3.837 -19.263 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.315 -21.401 4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.918 -21.184 5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.229 -20.450 6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.593 -21.248 7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.203 -18.556 7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.820 -19.229 7.907 1.00 0.00 H new ATOM 250 N SER A 20 1.919 -17.971 3.234 1.00 0.00 N ATOM 251 CA SER A 20 0.925 -17.507 2.270 1.00 0.00 C ATOM 252 C SER A 20 -0.344 -17.005 2.962 1.00 0.00 C ATOM 253 O SER A 20 -0.363 -15.870 3.432 1.00 0.00 O ATOM 254 CB SER A 20 0.661 -18.549 1.167 1.00 0.00 C ATOM 255 OG SER A 20 0.022 -19.724 1.632 1.00 0.00 O ATOM 0 H SER A 20 2.785 -17.435 3.179 1.00 0.00 H new ATOM 0 HA SER A 20 1.341 -16.641 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.045 -18.095 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.609 -18.821 0.703 1.00 0.00 H new ATOM 0 HG SER A 20 0.330 -19.927 2.540 1.00 0.00 H new ATOM 260 N SER A 21 -1.393 -17.828 3.010 1.00 0.00 N ATOM 261 CA SER A 21 -2.727 -17.525 3.514 1.00 0.00 C ATOM 262 C SER A 21 -3.452 -16.470 2.681 1.00 0.00 C ATOM 263 O SER A 21 -4.523 -16.757 2.151 1.00 0.00 O ATOM 264 CB SER A 21 -2.726 -17.166 5.012 1.00 0.00 C ATOM 265 OG SER A 21 -3.942 -16.542 5.401 1.00 0.00 O ATOM 0 H SER A 21 -1.325 -18.789 2.674 1.00 0.00 H new ATOM 0 HA SER A 21 -3.296 -18.449 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.574 -18.069 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.890 -16.501 5.227 1.00 0.00 H new ATOM 0 HG SER A 21 -4.687 -16.938 4.903 1.00 0.00 H new ATOM 270 N SER A 22 -2.928 -15.242 2.635 1.00 0.00 N ATOM 271 CA SER A 22 -3.600 -14.052 2.124 1.00 0.00 C ATOM 272 C SER A 22 -4.747 -13.628 3.050 1.00 0.00 C ATOM 273 O SER A 22 -4.732 -12.526 3.600 1.00 0.00 O ATOM 274 CB SER A 22 -4.104 -14.221 0.683 1.00 0.00 C ATOM 275 OG SER A 22 -3.045 -14.285 -0.248 1.00 0.00 O ATOM 0 H SER A 22 -1.984 -15.046 2.968 1.00 0.00 H new ATOM 0 HA SER A 22 -2.850 -13.261 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.702 -15.130 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.759 -13.388 0.429 1.00 0.00 H new ATOM 0 HG SER A 22 -3.243 -13.701 -1.009 1.00 0.00 H new ATOM 280 N SER A 23 -5.750 -14.499 3.182 1.00 0.00 N ATOM 281 CA SER A 23 -6.933 -14.333 4.008 1.00 0.00 C ATOM 282 C SER A 23 -6.586 -13.689 5.346 1.00 0.00 C ATOM 283 O SER A 23 -7.145 -12.650 5.711 1.00 0.00 O ATOM 284 CB SER A 23 -7.551 -15.723 4.220 1.00 0.00 C ATOM 285 OG SER A 23 -6.536 -16.672 4.523 1.00 0.00 O ATOM 0 H SER A 23 -5.752 -15.389 2.683 1.00 0.00 H new ATOM 0 HA SER A 23 -7.643 -13.671 3.512 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.278 -15.686 5.031 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.090 -16.030 3.323 1.00 0.00 H new ATOM 0 HG SER A 23 -6.942 -17.554 4.658 1.00 0.00 H new ATOM 290 N ASN A 24 -5.667 -14.331 6.071 1.00 0.00 N ATOM 291 CA ASN A 24 -5.348 -13.963 7.435 1.00 0.00 C ATOM 292 C ASN A 24 -4.910 -12.513 7.500 1.00 0.00 C ATOM 293 O ASN A 24 -5.569 -11.720 8.164 1.00 0.00 O ATOM 294 CB ASN A 24 -4.299 -14.895 8.054 1.00 0.00 C ATOM 295 CG ASN A 24 -4.804 -16.322 8.274 1.00 0.00 C ATOM 296 OD1 ASN A 24 -5.941 -16.656 7.954 1.00 0.00 O ATOM 297 ND2 ASN A 24 -3.960 -17.183 8.836 1.00 0.00 N ATOM 0 H ASN A 24 -5.127 -15.122 5.719 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.254 -14.077 8.031 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.423 -14.924 7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.976 -14.481 9.009 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.253 -18.145 9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.020 -16.882 9.093 1.00 0.00 H new ATOM 303 N TYR A 25 -3.825 -12.156 6.807 1.00 0.00 N ATOM 304 CA TYR A 25 -3.277 -10.809 6.903 1.00 0.00 C ATOM 305 C TYR A 25 -4.351 -9.776 6.606 1.00 0.00 C ATOM 306 O TYR A 25 -4.457 -8.785 7.322 1.00 0.00 O ATOM 307 CB TYR A 25 -2.120 -10.583 5.920 1.00 0.00 C ATOM 308 CG TYR A 25 -1.084 -11.677 5.829 1.00 0.00 C ATOM 309 CD1 TYR A 25 -0.663 -12.369 6.980 1.00 0.00 C ATOM 310 CD2 TYR A 25 -0.576 -12.036 4.568 1.00 0.00 C ATOM 311 CE1 TYR A 25 0.170 -13.490 6.853 1.00 0.00 C ATOM 312 CE2 TYR A 25 0.292 -13.130 4.448 1.00 0.00 C ATOM 313 CZ TYR A 25 0.614 -13.894 5.583 1.00 0.00 C ATOM 314 OH TYR A 25 1.250 -15.085 5.439 1.00 0.00 O ATOM 0 H TYR A 25 -3.316 -12.778 6.180 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.905 -10.699 7.922 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.542 -10.431 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.614 -9.658 6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.980 -12.038 7.958 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.855 -11.469 3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.470 -14.042 7.731 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.712 -13.385 3.486 1.00 0.00 H new ATOM 0 HH TYR A 25 0.922 -15.536 4.633 1.00 0.00 H new ATOM 323 N CYS A 26 -5.133 -10.012 5.546 1.00 0.00 N ATOM 324 CA CYS A 26 -6.098 -9.028 5.066 1.00 0.00 C ATOM 325 C CYS A 26 -7.006 -8.630 6.215 1.00 0.00 C ATOM 326 O CYS A 26 -7.072 -7.471 6.624 1.00 0.00 O ATOM 327 CB CYS A 26 -6.959 -9.591 3.928 1.00 0.00 C ATOM 328 SG CYS A 26 -6.817 -8.752 2.345 1.00 0.00 S ATOM 0 H CYS A 26 -5.113 -10.878 5.007 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.547 -8.167 4.686 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.698 -10.640 3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.003 -9.562 4.240 1.00 0.00 H new ATOM 332 N ASN A 27 -7.714 -9.641 6.714 1.00 0.00 N ATOM 333 CA ASN A 27 -8.783 -9.460 7.672 1.00 0.00 C ATOM 334 C ASN A 27 -8.182 -9.080 9.022 1.00 0.00 C ATOM 335 O ASN A 27 -8.685 -8.182 9.693 1.00 0.00 O ATOM 336 CB ASN A 27 -9.668 -10.707 7.712 1.00 0.00 C ATOM 337 CG ASN A 27 -10.361 -10.892 6.354 1.00 0.00 C ATOM 338 OD1 ASN A 27 -11.435 -10.344 6.121 1.00 0.00 O ATOM 339 ND2 ASN A 27 -9.729 -11.602 5.423 1.00 0.00 N ATOM 0 H ASN A 27 -7.554 -10.615 6.457 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.439 -8.641 7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.066 -11.585 7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.413 -10.611 8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.136 -11.700 4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.838 -12.048 5.640 1.00 0.00 H new ATOM 345 N LEU A 28 -7.071 -9.725 9.390 1.00 0.00 N ATOM 346 CA LEU A 28 -6.331 -9.413 10.598 1.00 0.00 C ATOM 347 C LEU A 28 -6.004 -7.923 10.635 1.00 0.00 C ATOM 348 O LEU A 28 -6.445 -7.203 11.526 1.00 0.00 O ATOM 349 CB LEU A 28 -5.035 -10.241 10.662 1.00 0.00 C ATOM 350 CG LEU A 28 -4.194 -9.992 11.926 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.952 -10.366 13.205 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.907 -10.820 11.836 1.00 0.00 C ATOM 0 H LEU A 28 -6.663 -10.485 8.846 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.946 -9.665 11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.290 -11.300 10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.429 -10.016 9.785 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.967 -8.927 11.978 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.320 -10.174 14.072 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.860 -9.767 13.278 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.216 -11.423 13.176 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.303 -10.651 12.727 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.159 -11.878 11.764 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.343 -10.520 10.953 1.00 0.00 H new ATOM 363 N MET A 29 -5.207 -7.457 9.672 1.00 0.00 N ATOM 364 CA MET A 29 -4.658 -6.117 9.723 1.00 0.00 C ATOM 365 C MET A 29 -5.767 -5.083 9.539 1.00 0.00 C ATOM 366 O MET A 29 -5.822 -4.130 10.314 1.00 0.00 O ATOM 367 CB MET A 29 -3.484 -5.965 8.747 1.00 0.00 C ATOM 368 CG MET A 29 -2.630 -4.727 9.071 1.00 0.00 C ATOM 369 SD MET A 29 -3.240 -3.156 8.410 1.00 0.00 S ATOM 370 CE MET A 29 -2.524 -3.250 6.757 1.00 0.00 C ATOM 0 H MET A 29 -4.932 -7.995 8.850 1.00 0.00 H new ATOM 0 HA MET A 29 -4.234 -5.932 10.710 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.860 -6.858 8.787 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.865 -5.888 7.729 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.550 -4.637 10.154 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.623 -4.894 8.690 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.221 -2.825 6.034 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.589 -2.690 6.733 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.329 -4.292 6.504 1.00 0.00 H new ATOM 378 N MET A 30 -6.683 -5.266 8.578 1.00 0.00 N ATOM 379 CA MET A 30 -7.778 -4.314 8.415 1.00 0.00 C ATOM 380 C MET A 30 -8.619 -4.213 9.697 1.00 0.00 C ATOM 381 O MET A 30 -9.066 -3.120 10.047 1.00 0.00 O ATOM 382 CB MET A 30 -8.609 -4.610 7.155 1.00 0.00 C ATOM 383 CG MET A 30 -9.524 -5.830 7.296 1.00 0.00 C ATOM 384 SD MET A 30 -11.128 -5.538 8.082 1.00 0.00 S ATOM 385 CE MET A 30 -11.773 -7.220 8.198 1.00 0.00 C ATOM 0 H MET A 30 -6.686 -6.045 7.920 1.00 0.00 H new ATOM 0 HA MET A 30 -7.349 -3.325 8.254 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.216 -3.737 6.917 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.934 -4.768 6.314 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.699 -6.244 6.303 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.995 -6.591 7.869 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.766 -7.199 8.647 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.835 -7.656 7.201 1.00 0.00 H new ATOM 0 HE3 MET A 30 -11.108 -7.823 8.817 1.00 0.00 H new ATOM 393 N CYS A 31 -8.811 -5.332 10.413 1.00 0.00 N ATOM 394 CA CYS A 31 -9.541 -5.347 11.675 1.00 0.00 C ATOM 395 C CYS A 31 -8.748 -4.637 12.771 1.00 0.00 C ATOM 396 O CYS A 31 -9.268 -3.744 13.435 1.00 0.00 O ATOM 397 CB CYS A 31 -9.860 -6.783 12.094 1.00 0.00 C ATOM 398 SG CYS A 31 -10.737 -6.719 13.674 1.00 0.00 S ATOM 0 H CYS A 31 -8.462 -6.247 10.127 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.479 -4.811 11.530 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.472 -7.274 11.338 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.943 -7.365 12.190 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.026 -7.927 14.059 1.00 0.00 H new ATOM 403 N CYS A 32 -7.477 -5.007 12.946 1.00 0.00 N ATOM 404 CA CYS A 32 -6.601 -4.455 13.977 1.00 0.00 C ATOM 405 C CYS A 32 -6.356 -2.961 13.766 1.00 0.00 C ATOM 406 O CYS A 32 -6.194 -2.215 14.732 1.00 0.00 O ATOM 407 CB CYS A 32 -5.266 -5.212 14.004 1.00 0.00 C ATOM 408 SG CYS A 32 -5.475 -6.816 14.812 1.00 0.00 S ATOM 0 H CYS A 32 -7.022 -5.711 12.364 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.102 -4.579 14.937 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.899 -5.354 12.987 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.517 -4.624 14.534 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.338 -7.446 14.826 1.00 0.00 H new ATOM 413 N ARG A 33 -6.284 -2.514 12.509 1.00 0.00 N ATOM 414 CA ARG A 33 -6.240 -1.098 12.164 1.00 0.00 C ATOM 415 C ARG A 33 -7.640 -0.484 12.235 1.00 0.00 C ATOM 416 O ARG A 33 -7.782 0.702 12.523 1.00 0.00 O ATOM 417 CB ARG A 33 -5.568 -0.899 10.794 1.00 0.00 C ATOM 418 CG ARG A 33 -4.593 0.290 10.797 1.00 0.00 C ATOM 419 CD ARG A 33 -3.143 -0.123 11.123 1.00 0.00 C ATOM 420 NE ARG A 33 -3.034 -1.106 12.216 1.00 0.00 N ATOM 421 CZ ARG A 33 -3.219 -0.867 13.524 1.00 0.00 C ATOM 422 NH1 ARG A 33 -3.474 0.377 13.943 1.00 0.00 N ATOM 423 NH2 ARG A 33 -3.177 -1.876 14.400 1.00 0.00 N ATOM 0 H ARG A 33 -6.255 -3.133 11.699 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.629 -0.568 12.894 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.031 -1.807 10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.333 -0.738 10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.617 0.775 9.821 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.928 1.027 11.527 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.684 -0.539 10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.573 0.767 11.390 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.794 -2.062 11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.528 1.141 13.269 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.615 0.562 14.936 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.004 -2.827 14.074 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.318 -1.695 15.394 1.00 0.00 H new ATOM 434 N LYS A 34 -8.663 -1.306 12.008 1.00 0.00 N ATOM 435 CA LYS A 34 -10.066 -0.990 12.191 1.00 0.00 C ATOM 436 C LYS A 34 -10.543 -0.009 11.130 1.00 0.00 C ATOM 437 O LYS A 34 -11.388 0.850 11.378 1.00 0.00 O ATOM 438 CB LYS A 34 -10.361 -0.619 13.659 1.00 0.00 C ATOM 439 CG LYS A 34 -11.537 -1.425 14.233 1.00 0.00 C ATOM 440 CD LYS A 34 -12.891 -0.817 13.851 1.00 0.00 C ATOM 441 CE LYS A 34 -14.047 -1.769 14.203 1.00 0.00 C ATOM 442 NZ LYS A 34 -14.547 -2.501 13.021 1.00 0.00 N ATOM 0 H LYS A 34 -8.521 -2.259 11.674 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.680 -1.875 12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.471 -0.796 14.263 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.585 0.446 13.726 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.485 -2.451 13.869 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.452 -1.467 15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.026 0.132 14.371 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.907 -0.600 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.711 -2.483 14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.863 -1.199 14.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.021 -3.374 13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.223 -1.904 12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.749 -2.740 12.398 1.00 0.00 H new ATOM 452 N MET A 35 -10.099 -0.236 9.890 1.00 0.00 N ATOM 453 CA MET A 35 -10.652 0.409 8.707 1.00 0.00 C ATOM 454 C MET A 35 -11.924 -0.371 8.343 1.00 0.00 C ATOM 455 O MET A 35 -12.056 -0.950 7.265 1.00 0.00 O ATOM 456 CB MET A 35 -9.604 0.454 7.582 1.00 0.00 C ATOM 457 CG MET A 35 -8.610 1.628 7.670 1.00 0.00 C ATOM 458 SD MET A 35 -7.505 1.766 9.108 1.00 0.00 S ATOM 459 CE MET A 35 -8.461 2.839 10.204 1.00 0.00 C ATOM 0 H MET A 35 -9.337 -0.881 9.683 1.00 0.00 H new ATOM 0 HA MET A 35 -10.915 1.452 8.884 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.043 -0.480 7.590 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.122 0.506 6.624 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.983 1.591 6.779 1.00 0.00 H new ATOM 0 HG3 MET A 35 -9.189 2.550 7.614 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.982 2.880 11.182 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.508 3.842 9.781 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.471 2.443 10.311 1.00 0.00 H new ATOM 467 N THR A 36 -12.841 -0.390 9.314 1.00 0.00 N ATOM 468 CA THR A 36 -14.159 -1.003 9.314 1.00 0.00 C ATOM 469 C THR A 36 -15.000 -0.194 10.308 1.00 0.00 C ATOM 470 O THR A 36 -15.550 -0.733 11.270 1.00 0.00 O ATOM 471 CB THR A 36 -14.079 -2.491 9.705 1.00 0.00 C ATOM 472 OG1 THR A 36 -13.169 -2.690 10.779 1.00 0.00 O ATOM 473 CG2 THR A 36 -13.661 -3.372 8.530 1.00 0.00 C ATOM 0 H THR A 36 -12.654 0.071 10.205 1.00 0.00 H new ATOM 0 HA THR A 36 -14.610 -0.985 8.322 1.00 0.00 H new ATOM 0 HB THR A 36 -15.082 -2.781 10.017 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.016 -3.650 10.904 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.618 -4.412 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.387 -3.272 7.724 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.679 -3.062 8.174 1.00 0.00 H new ATOM 481 N GLN A 37 -15.009 1.125 10.115 1.00 0.00 N ATOM 482 CA GLN A 37 -15.912 2.041 10.804 1.00 0.00 C ATOM 483 C GLN A 37 -17.222 2.097 10.013 1.00 0.00 C ATOM 484 O GLN A 37 -17.765 1.047 9.688 1.00 0.00 O ATOM 485 CB GLN A 37 -15.227 3.405 10.998 1.00 0.00 C ATOM 486 CG GLN A 37 -13.954 3.333 11.855 1.00 0.00 C ATOM 487 CD GLN A 37 -14.253 3.154 13.341 1.00 0.00 C ATOM 488 OE1 GLN A 37 -14.124 4.090 14.121 1.00 0.00 O ATOM 489 NE2 GLN A 37 -14.660 1.959 13.756 1.00 0.00 N ATOM 0 H GLN A 37 -14.378 1.593 9.464 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.155 1.697 11.809 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.976 3.819 10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -15.931 4.094 11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.336 2.504 11.511 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.373 4.244 11.713 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.760 1.194 13.089 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.872 1.807 14.742 1.00 0.00 H new ATOM 496 N GLY A 38 -17.717 3.290 9.668 1.00 0.00 N ATOM 497 CA GLY A 38 -18.972 3.453 8.940 1.00 0.00 C ATOM 498 C GLY A 38 -18.983 2.731 7.589 1.00 0.00 C ATOM 499 O GLY A 38 -20.051 2.454 7.048 1.00 0.00 O ATOM 0 H GLY A 38 -17.254 4.171 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.792 3.077 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -19.156 4.515 8.779 1.00 0.00 H new ATOM 502 N LYS A 39 -17.803 2.440 7.038 1.00 0.00 N ATOM 503 CA LYS A 39 -17.629 1.573 5.891 1.00 0.00 C ATOM 504 C LYS A 39 -16.275 0.882 6.034 1.00 0.00 C ATOM 505 O LYS A 39 -15.466 1.277 6.878 1.00 0.00 O ATOM 506 CB LYS A 39 -17.764 2.362 4.580 1.00 0.00 C ATOM 507 CG LYS A 39 -16.716 3.473 4.421 1.00 0.00 C ATOM 508 CD LYS A 39 -17.100 4.455 3.304 1.00 0.00 C ATOM 509 CE LYS A 39 -17.213 3.766 1.935 1.00 0.00 C ATOM 510 NZ LYS A 39 -17.549 4.722 0.859 1.00 0.00 N ATOM 0 H LYS A 39 -16.924 2.815 7.393 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.410 0.814 5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.680 1.672 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.759 2.803 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.612 4.013 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.745 3.030 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.051 4.928 3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.355 5.248 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.271 3.272 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.977 2.990 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.615 4.216 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.461 5.176 1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.807 5.448 0.796 1.00 0.00 H new ATOM 520 N CYS A 40 -16.044 -0.133 5.202 1.00 0.00 N ATOM 521 CA CYS A 40 -14.754 -0.787 5.025 1.00 0.00 C ATOM 522 C CYS A 40 -14.097 -0.225 3.759 1.00 0.00 C ATOM 523 O CYS A 40 -14.695 0.620 3.091 1.00 0.00 O ATOM 524 CB CYS A 40 -14.976 -2.298 4.943 1.00 0.00 C ATOM 525 SG CYS A 40 -15.525 -2.889 3.328 1.00 0.00 S ATOM 0 H CYS A 40 -16.776 -0.534 4.615 1.00 0.00 H new ATOM 0 HA CYS A 40 -14.087 -0.596 5.865 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -14.046 -2.803 5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -15.715 -2.585 5.691 1.00 0.00 H new ATOM 529 N LYS A 41 -12.872 -0.655 3.432 1.00 0.00 N ATOM 530 CA LYS A 41 -12.158 -0.173 2.255 1.00 0.00 C ATOM 531 C LYS A 41 -12.206 -1.249 1.166 1.00 0.00 C ATOM 532 O LYS A 41 -11.851 -2.390 1.440 1.00 0.00 O ATOM 533 CB LYS A 41 -10.717 0.208 2.631 1.00 0.00 C ATOM 534 CG LYS A 41 -10.211 1.375 1.771 1.00 0.00 C ATOM 535 CD LYS A 41 -8.793 1.778 2.201 1.00 0.00 C ATOM 536 CE LYS A 41 -8.221 2.946 1.384 1.00 0.00 C ATOM 537 NZ LYS A 41 -8.226 2.672 -0.068 1.00 0.00 N ATOM 0 H LYS A 41 -12.354 -1.344 3.977 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.635 0.726 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.674 0.483 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.064 -0.654 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.212 1.088 0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.884 2.227 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.805 2.052 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.132 0.917 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.804 3.845 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.201 3.148 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.524 3.278 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.987 1.673 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.170 2.871 -0.456 1.00 0.00 H new ATOM 547 N PRO A 42 -12.612 -0.921 -0.069 1.00 0.00 N ATOM 548 CA PRO A 42 -12.701 -1.902 -1.138 1.00 0.00 C ATOM 549 C PRO A 42 -11.320 -2.330 -1.639 1.00 0.00 C ATOM 550 O PRO A 42 -11.162 -3.452 -2.120 1.00 0.00 O ATOM 551 CB PRO A 42 -13.520 -1.222 -2.241 1.00 0.00 C ATOM 552 CG PRO A 42 -13.249 0.268 -2.027 1.00 0.00 C ATOM 553 CD PRO A 42 -13.093 0.376 -0.510 1.00 0.00 C ATOM 0 HA PRO A 42 -13.173 -2.823 -0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.205 -1.548 -3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.582 -1.453 -2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.349 0.593 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.070 0.884 -2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.389 1.165 -0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.043 0.623 -0.036 1.00 0.00 H new ATOM 558 N VAL A 43 -10.327 -1.436 -1.551 1.00 0.00 N ATOM 559 CA VAL A 43 -8.952 -1.695 -1.961 1.00 0.00 C ATOM 560 C VAL A 43 -7.990 -1.075 -0.949 1.00 0.00 C ATOM 561 O VAL A 43 -8.171 0.076 -0.542 1.00 0.00 O ATOM 562 CB VAL A 43 -8.678 -1.155 -3.379 1.00 0.00 C ATOM 563 CG1 VAL A 43 -9.325 -2.047 -4.441 1.00 0.00 C ATOM 564 CG2 VAL A 43 -9.140 0.293 -3.600 1.00 0.00 C ATOM 0 H VAL A 43 -10.466 -0.494 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.795 -2.773 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.593 -1.167 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.116 -1.643 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.917 -3.055 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.403 -2.079 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.911 0.596 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.215 0.361 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.622 0.951 -2.902 1.00 0.00 H new ATOM 574 N ASN A 44 -6.964 -1.823 -0.548 1.00 0.00 N ATOM 575 CA ASN A 44 -5.905 -1.388 0.345 1.00 0.00 C ATOM 576 C ASN A 44 -4.651 -2.200 0.024 1.00 0.00 C ATOM 577 O ASN A 44 -4.535 -3.346 0.448 1.00 0.00 O ATOM 578 CB ASN A 44 -6.332 -1.603 1.805 1.00 0.00 C ATOM 579 CG ASN A 44 -5.305 -1.031 2.782 1.00 0.00 C ATOM 580 OD1 ASN A 44 -4.276 -0.498 2.381 1.00 0.00 O ATOM 581 ND2 ASN A 44 -5.587 -1.105 4.080 1.00 0.00 N ATOM 0 H ASN A 44 -6.848 -2.789 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.701 -0.326 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.299 -1.130 1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.460 -2.669 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.941 -0.713 4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.449 -1.553 4.390 1.00 0.00 H new ATOM 587 N THR A 45 -3.710 -1.639 -0.734 1.00 0.00 N ATOM 588 CA THR A 45 -2.519 -2.388 -1.083 1.00 0.00 C ATOM 589 C THR A 45 -1.564 -2.414 0.110 1.00 0.00 C ATOM 590 O THR A 45 -0.962 -1.393 0.442 1.00 0.00 O ATOM 591 CB THR A 45 -1.880 -1.833 -2.359 1.00 0.00 C ATOM 592 OG1 THR A 45 -2.881 -1.643 -3.343 1.00 0.00 O ATOM 593 CG2 THR A 45 -0.801 -2.788 -2.886 1.00 0.00 C ATOM 0 H THR A 45 -3.752 -0.691 -1.107 1.00 0.00 H new ATOM 0 HA THR A 45 -2.783 -3.421 -1.308 1.00 0.00 H new ATOM 0 HB THR A 45 -1.408 -0.878 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.417 -2.459 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.360 -2.374 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.026 -2.913 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.250 -3.756 -3.110 1.00 0.00 H new ATOM 601 N PHE A 46 -1.418 -3.576 0.756 1.00 0.00 N ATOM 602 CA PHE A 46 -0.533 -3.703 1.900 1.00 0.00 C ATOM 603 C PHE A 46 0.878 -3.906 1.355 1.00 0.00 C ATOM 604 O PHE A 46 1.062 -4.654 0.395 1.00 0.00 O ATOM 605 CB PHE A 46 -0.863 -4.937 2.746 1.00 0.00 C ATOM 606 CG PHE A 46 -2.175 -5.067 3.490 1.00 0.00 C ATOM 607 CD1 PHE A 46 -3.243 -4.172 3.310 1.00 0.00 C ATOM 608 CD2 PHE A 46 -2.341 -6.184 4.327 1.00 0.00 C ATOM 609 CE1 PHE A 46 -4.450 -4.368 4.007 1.00 0.00 C ATOM 610 CE2 PHE A 46 -3.544 -6.378 5.018 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.603 -5.470 4.862 1.00 0.00 C ATOM 0 H PHE A 46 -1.904 -4.436 0.500 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.637 -2.813 2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.788 -5.801 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.070 -5.032 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.138 -3.334 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.537 -6.896 4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.262 -3.667 3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.657 -7.229 5.673 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.530 -5.619 5.397 1.00 0.00 H new ATOM 620 N VAL A 47 1.878 -3.278 1.972 1.00 0.00 N ATOM 621 CA VAL A 47 3.280 -3.490 1.622 1.00 0.00 C ATOM 622 C VAL A 47 3.936 -4.384 2.678 1.00 0.00 C ATOM 623 O VAL A 47 3.556 -4.352 3.851 1.00 0.00 O ATOM 624 CB VAL A 47 3.972 -2.126 1.469 1.00 0.00 C ATOM 625 CG1 VAL A 47 5.501 -2.240 1.406 1.00 0.00 C ATOM 626 CG2 VAL A 47 3.470 -1.456 0.180 1.00 0.00 C ATOM 0 H VAL A 47 1.738 -2.608 2.728 1.00 0.00 H new ATOM 0 HA VAL A 47 3.374 -4.007 0.667 1.00 0.00 H new ATOM 0 HB VAL A 47 3.724 -1.533 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.936 -1.246 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.870 -2.700 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.785 -2.855 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.955 -0.487 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.708 -2.088 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.390 -1.317 0.239 1.00 0.00 H new ATOM 636 N HIS A 48 4.913 -5.196 2.255 1.00 0.00 N ATOM 637 CA HIS A 48 5.777 -5.978 3.123 1.00 0.00 C ATOM 638 C HIS A 48 7.234 -5.667 2.785 1.00 0.00 C ATOM 639 O HIS A 48 7.705 -6.093 1.733 1.00 0.00 O ATOM 640 CB HIS A 48 5.524 -7.485 2.936 1.00 0.00 C ATOM 641 CG HIS A 48 4.349 -8.060 3.686 1.00 0.00 C ATOM 642 ND1 HIS A 48 4.406 -9.099 4.600 1.00 0.00 N ATOM 643 CD2 HIS A 48 3.053 -7.633 3.618 1.00 0.00 C ATOM 644 CE1 HIS A 48 3.168 -9.289 5.086 1.00 0.00 C ATOM 645 NE2 HIS A 48 2.339 -8.405 4.511 1.00 0.00 N ATOM 0 H HIS A 48 5.124 -5.325 1.265 1.00 0.00 H new ATOM 0 HA HIS A 48 5.562 -5.717 4.159 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.380 -7.679 1.873 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.422 -8.024 3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.664 -6.846 2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.887 -10.031 5.819 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.341 -8.318 4.703 1.00 0.00 H new ATOM 653 N GLU A 49 7.946 -4.969 3.679 1.00 0.00 N ATOM 654 CA GLU A 49 9.388 -4.754 3.573 1.00 0.00 C ATOM 655 C GLU A 49 9.934 -4.152 4.875 1.00 0.00 C ATOM 656 O GLU A 49 9.231 -4.140 5.888 1.00 0.00 O ATOM 657 CB GLU A 49 9.729 -3.893 2.331 1.00 0.00 C ATOM 658 CG GLU A 49 10.540 -4.678 1.287 1.00 0.00 C ATOM 659 CD GLU A 49 11.773 -5.365 1.854 1.00 0.00 C ATOM 660 OE1 GLU A 49 12.410 -4.759 2.742 1.00 0.00 O ATOM 661 OE2 GLU A 49 12.029 -6.504 1.402 1.00 0.00 O ATOM 0 H GLU A 49 7.530 -4.535 4.503 1.00 0.00 H new ATOM 0 HA GLU A 49 9.881 -5.716 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.806 -3.532 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.295 -3.015 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.895 -5.429 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.848 -3.997 0.494 1.00 0.00 H new ATOM 666 N SER A 50 11.176 -3.661 4.848 1.00 0.00 N ATOM 667 CA SER A 50 11.873 -3.019 5.954 1.00 0.00 C ATOM 668 C SER A 50 11.598 -1.507 6.008 1.00 0.00 C ATOM 669 O SER A 50 11.611 -0.808 4.995 1.00 0.00 O ATOM 670 CB SER A 50 13.368 -3.306 5.818 1.00 0.00 C ATOM 671 OG SER A 50 14.075 -2.733 6.903 1.00 0.00 O ATOM 0 H SER A 50 11.749 -3.706 4.005 1.00 0.00 H new ATOM 0 HA SER A 50 11.502 -3.429 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.538 -4.382 5.791 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.740 -2.900 4.877 1.00 0.00 H new ATOM 0 HG SER A 50 15.031 -2.924 6.808 1.00 0.00 H new ATOM 676 N LEU A 51 11.338 -0.990 7.213 1.00 0.00 N ATOM 677 CA LEU A 51 10.906 0.386 7.442 1.00 0.00 C ATOM 678 C LEU A 51 11.930 1.403 6.930 1.00 0.00 C ATOM 679 O LEU A 51 11.578 2.402 6.299 1.00 0.00 O ATOM 680 CB LEU A 51 10.627 0.561 8.943 1.00 0.00 C ATOM 681 CG LEU A 51 9.921 1.878 9.300 1.00 0.00 C ATOM 682 CD1 LEU A 51 8.468 1.882 8.809 1.00 0.00 C ATOM 683 CD2 LEU A 51 9.930 2.060 10.821 1.00 0.00 C ATOM 0 H LEU A 51 11.425 -1.531 8.073 1.00 0.00 H new ATOM 0 HA LEU A 51 9.994 0.577 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.014 -0.272 9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.571 0.508 9.486 1.00 0.00 H new ATOM 0 HG LEU A 51 10.455 2.693 8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.996 2.827 9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.450 1.761 7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.924 1.060 9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.430 2.994 11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.407 1.227 11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.960 2.089 11.178 1.00 0.00 H new ATOM 694 N ALA A 52 13.208 1.153 7.217 1.00 0.00 N ATOM 695 CA ALA A 52 14.280 2.034 6.779 1.00 0.00 C ATOM 696 C ALA A 52 14.352 2.062 5.251 1.00 0.00 C ATOM 697 O ALA A 52 14.582 3.117 4.659 1.00 0.00 O ATOM 698 CB ALA A 52 15.606 1.571 7.385 1.00 0.00 C ATOM 0 H ALA A 52 13.522 0.344 7.753 1.00 0.00 H new ATOM 0 HA ALA A 52 14.078 3.048 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.407 2.232 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.538 1.597 8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.819 0.553 7.059 1.00 0.00 H new ATOM 704 N ASP A 53 14.125 0.908 4.616 1.00 0.00 N ATOM 705 CA ASP A 53 14.094 0.849 3.166 1.00 0.00 C ATOM 706 C ASP A 53 12.941 1.711 2.662 1.00 0.00 C ATOM 707 O ASP A 53 13.151 2.583 1.829 1.00 0.00 O ATOM 708 CB ASP A 53 13.995 -0.589 2.660 1.00 0.00 C ATOM 709 CG ASP A 53 13.714 -0.556 1.169 1.00 0.00 C ATOM 710 OD1 ASP A 53 14.695 -0.494 0.397 1.00 0.00 O ATOM 711 OD2 ASP A 53 12.513 -0.538 0.831 1.00 0.00 O ATOM 0 H ASP A 53 13.963 0.016 5.084 1.00 0.00 H new ATOM 0 HA ASP A 53 15.031 1.242 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.923 -1.125 2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.201 -1.121 3.184 1.00 0.00 H new ATOM 715 N VAL A 54 11.740 1.524 3.212 1.00 0.00 N ATOM 716 CA VAL A 54 10.596 2.360 2.866 1.00 0.00 C ATOM 717 C VAL A 54 10.923 3.858 2.961 1.00 0.00 C ATOM 718 O VAL A 54 10.575 4.608 2.047 1.00 0.00 O ATOM 719 CB VAL A 54 9.354 1.892 3.644 1.00 0.00 C ATOM 720 CG1 VAL A 54 8.270 2.968 3.717 1.00 0.00 C ATOM 721 CG2 VAL A 54 8.790 0.650 2.937 1.00 0.00 C ATOM 0 H VAL A 54 11.537 0.799 3.900 1.00 0.00 H new ATOM 0 HA VAL A 54 10.347 2.232 1.812 1.00 0.00 H new ATOM 0 HB VAL A 54 9.654 1.669 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.416 2.587 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.667 3.851 4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.954 3.235 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.907 0.298 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.518 0.906 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.545 -0.136 2.926 1.00 0.00 H new ATOM 731 N LYS A 55 11.623 4.310 4.011 1.00 0.00 N ATOM 732 CA LYS A 55 12.140 5.680 4.016 1.00 0.00 C ATOM 733 C LYS A 55 13.015 5.942 2.783 1.00 0.00 C ATOM 734 O LYS A 55 12.750 6.872 2.020 1.00 0.00 O ATOM 735 CB LYS A 55 12.905 6.016 5.305 1.00 0.00 C ATOM 736 CG LYS A 55 12.055 6.658 6.405 1.00 0.00 C ATOM 737 CD LYS A 55 11.213 5.612 7.138 1.00 0.00 C ATOM 738 CE LYS A 55 10.240 6.304 8.099 1.00 0.00 C ATOM 739 NZ LYS A 55 9.404 5.318 8.800 1.00 0.00 N ATOM 0 H LYS A 55 11.838 3.763 4.844 1.00 0.00 H new ATOM 0 HA LYS A 55 11.274 6.341 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.350 5.101 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.726 6.690 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.703 7.170 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.401 7.413 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.659 5.009 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.862 4.933 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.798 6.895 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.606 6.996 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.521 5.771 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.181 4.532 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.917 4.953 9.628 1.00 0.00 H new ATOM 749 N ALA A 56 14.069 5.137 2.605 1.00 0.00 N ATOM 750 CA ALA A 56 15.033 5.304 1.522 1.00 0.00 C ATOM 751 C ALA A 56 14.344 5.426 0.156 1.00 0.00 C ATOM 752 O ALA A 56 14.581 6.396 -0.556 1.00 0.00 O ATOM 753 CB ALA A 56 16.052 4.162 1.542 1.00 0.00 C ATOM 0 H ALA A 56 14.275 4.346 3.216 1.00 0.00 H new ATOM 0 HA ALA A 56 15.565 6.241 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.766 4.297 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.582 4.164 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.535 3.211 1.416 1.00 0.00 H new ATOM 759 N VAL A 57 13.481 4.467 -0.185 1.00 0.00 N ATOM 760 CA VAL A 57 12.661 4.403 -1.391 1.00 0.00 C ATOM 761 C VAL A 57 12.107 5.776 -1.779 1.00 0.00 C ATOM 762 O VAL A 57 12.355 6.260 -2.885 1.00 0.00 O ATOM 763 CB VAL A 57 11.539 3.370 -1.173 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.377 3.524 -2.164 1.00 0.00 C ATOM 765 CG2 VAL A 57 12.117 1.951 -1.241 1.00 0.00 C ATOM 0 H VAL A 57 13.328 3.659 0.418 1.00 0.00 H new ATOM 0 HA VAL A 57 13.281 4.086 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 57 11.124 3.554 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.620 2.767 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.937 4.516 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.747 3.398 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.319 1.225 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.570 1.789 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.874 1.829 -0.466 1.00 0.00 H new ATOM 775 N CYS A 58 11.352 6.408 -0.874 1.00 0.00 N ATOM 776 CA CYS A 58 10.799 7.736 -1.138 1.00 0.00 C ATOM 777 C CYS A 58 11.883 8.721 -1.554 1.00 0.00 C ATOM 778 O CYS A 58 11.646 9.553 -2.416 1.00 0.00 O ATOM 779 CB CYS A 58 9.994 8.265 0.051 1.00 0.00 C ATOM 780 SG CYS A 58 10.449 9.871 0.782 1.00 0.00 S ATOM 0 H CYS A 58 11.113 6.023 0.040 1.00 0.00 H new ATOM 0 HA CYS A 58 10.109 7.632 -1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.951 8.329 -0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.046 7.517 0.842 1.00 0.00 H new ATOM 784 N SER A 59 13.080 8.616 -0.984 1.00 0.00 N ATOM 785 CA SER A 59 14.182 9.498 -1.309 1.00 0.00 C ATOM 786 C SER A 59 15.142 8.820 -2.297 1.00 0.00 C ATOM 787 O SER A 59 16.355 8.987 -2.172 1.00 0.00 O ATOM 788 CB SER A 59 14.862 9.911 0.005 1.00 0.00 C ATOM 789 OG SER A 59 15.436 11.197 -0.137 1.00 0.00 O ATOM 0 H SER A 59 13.308 7.912 -0.282 1.00 0.00 H new ATOM 0 HA SER A 59 13.828 10.398 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.134 9.915 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.632 9.186 0.271 1.00 0.00 H new ATOM 0 HG SER A 59 14.738 11.879 -0.044 1.00 0.00 H new ATOM 794 N GLN A 60 14.629 8.045 -3.266 1.00 0.00 N ATOM 795 CA GLN A 60 15.454 7.316 -4.230 1.00 0.00 C ATOM 796 C GLN A 60 15.164 7.757 -5.677 1.00 0.00 C ATOM 797 O GLN A 60 15.742 8.745 -6.122 1.00 0.00 O ATOM 798 CB GLN A 60 15.375 5.799 -3.958 1.00 0.00 C ATOM 799 CG GLN A 60 16.752 5.145 -3.776 1.00 0.00 C ATOM 800 CD GLN A 60 17.285 5.218 -2.343 1.00 0.00 C ATOM 801 OE1 GLN A 60 17.575 4.185 -1.750 1.00 0.00 O ATOM 802 NE2 GLN A 60 17.435 6.406 -1.763 1.00 0.00 N ATOM 0 H GLN A 60 13.627 7.909 -3.399 1.00 0.00 H new ATOM 0 HA GLN A 60 16.504 7.575 -4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.777 5.628 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.856 5.315 -4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.690 4.100 -4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.465 5.628 -4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.189 7.256 -2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.796 6.467 -0.811 1.00 0.00 H new ATOM 809 N LYS A 61 14.303 7.056 -6.429 1.00 0.00 N ATOM 810 CA LYS A 61 14.047 7.343 -7.838 1.00 0.00 C ATOM 811 C LYS A 61 12.638 7.904 -8.042 1.00 0.00 C ATOM 812 O LYS A 61 11.671 7.143 -8.065 1.00 0.00 O ATOM 813 CB LYS A 61 14.247 6.073 -8.669 1.00 0.00 C ATOM 814 CG LYS A 61 15.702 5.587 -8.610 1.00 0.00 C ATOM 815 CD LYS A 61 15.957 4.402 -9.554 1.00 0.00 C ATOM 816 CE LYS A 61 15.900 4.821 -11.034 1.00 0.00 C ATOM 817 NZ LYS A 61 16.269 3.716 -11.942 1.00 0.00 N ATOM 0 H LYS A 61 13.763 6.269 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 61 14.755 8.102 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.585 5.289 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.968 6.267 -9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.369 6.408 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.944 5.294 -7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.934 3.969 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.216 3.625 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.894 5.165 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.572 5.663 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.216 4.044 -12.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.239 3.403 -11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.612 2.921 -11.806 1.00 0.00 H new ATOM 827 N LYS A 62 12.521 9.224 -8.223 1.00 0.00 N ATOM 828 CA LYS A 62 11.268 9.867 -8.595 1.00 0.00 C ATOM 829 C LYS A 62 10.821 9.306 -9.943 1.00 0.00 C ATOM 830 O LYS A 62 11.588 9.356 -10.904 1.00 0.00 O ATOM 831 CB LYS A 62 11.467 11.395 -8.656 1.00 0.00 C ATOM 832 CG LYS A 62 10.159 12.212 -8.691 1.00 0.00 C ATOM 833 CD LYS A 62 9.608 12.436 -10.112 1.00 0.00 C ATOM 834 CE LYS A 62 8.307 13.266 -10.085 1.00 0.00 C ATOM 835 NZ LYS A 62 7.235 12.697 -10.934 1.00 0.00 N ATOM 0 H LYS A 62 13.299 9.874 -8.114 1.00 0.00 H new ATOM 0 HA LYS A 62 10.494 9.665 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.052 11.707 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.055 11.637 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.404 11.699 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.333 13.180 -8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.356 12.948 -10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.418 11.473 -10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.949 13.336 -9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.524 14.281 -10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.373 13.270 -10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.540 12.701 -11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.038 11.720 -10.636 1.00 0.00 H new ATOM 845 N VAL A 63 9.589 8.802 -10.027 1.00 0.00 N ATOM 846 CA VAL A 63 8.955 8.456 -11.291 1.00 0.00 C ATOM 847 C VAL A 63 7.745 9.370 -11.455 1.00 0.00 C ATOM 848 O VAL A 63 7.370 10.092 -10.532 1.00 0.00 O ATOM 849 CB VAL A 63 8.600 6.960 -11.351 1.00 0.00 C ATOM 850 CG1 VAL A 63 9.885 6.122 -11.379 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.701 6.497 -10.198 1.00 0.00 C ATOM 0 H VAL A 63 9.003 8.623 -9.212 1.00 0.00 H new ATOM 0 HA VAL A 63 9.637 8.613 -12.127 1.00 0.00 H new ATOM 0 HB VAL A 63 8.028 6.813 -12.267 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.628 5.064 -11.421 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.474 6.388 -12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.467 6.318 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.492 5.433 -10.305 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.207 6.674 -9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.765 7.055 -10.220 1.00 0.00 H new ATOM 861 N THR A 64 7.153 9.404 -12.643 1.00 0.00 N ATOM 862 CA THR A 64 5.879 10.067 -12.859 1.00 0.00 C ATOM 863 C THR A 64 4.859 8.948 -13.028 1.00 0.00 C ATOM 864 O THR A 64 5.148 7.928 -13.649 1.00 0.00 O ATOM 865 CB THR A 64 6.006 11.075 -14.004 1.00 0.00 C ATOM 866 OG1 THR A 64 6.924 12.080 -13.579 1.00 0.00 O ATOM 867 CG2 THR A 64 4.667 11.741 -14.333 1.00 0.00 C ATOM 0 H THR A 64 7.544 8.973 -13.480 1.00 0.00 H new ATOM 0 HA THR A 64 5.540 10.688 -12.030 1.00 0.00 H new ATOM 0 HB THR A 64 6.344 10.556 -14.901 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.033 12.745 -14.290 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.804 12.448 -15.151 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.945 10.980 -14.629 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.298 12.269 -13.454 1.00 0.00 H new ATOM 875 N CYS A 65 3.721 9.112 -12.358 1.00 0.00 N ATOM 876 CA CYS A 65 2.748 8.055 -12.128 1.00 0.00 C ATOM 877 C CYS A 65 1.828 7.954 -13.342 1.00 0.00 C ATOM 878 O CYS A 65 2.029 8.649 -14.338 1.00 0.00 O ATOM 879 CB CYS A 65 1.974 8.292 -10.811 1.00 0.00 C ATOM 880 SG CYS A 65 2.549 9.596 -9.681 1.00 0.00 S ATOM 0 H CYS A 65 3.446 10.006 -11.951 1.00 0.00 H new ATOM 0 HA CYS A 65 3.258 7.099 -12.009 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.939 8.513 -11.071 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.969 7.353 -10.257 1.00 0.00 H new ATOM 884 N LYS A 66 0.760 7.161 -13.249 1.00 0.00 N ATOM 885 CA LYS A 66 -0.238 7.020 -14.308 1.00 0.00 C ATOM 886 C LYS A 66 -1.185 8.235 -14.334 1.00 0.00 C ATOM 887 O LYS A 66 -2.375 8.089 -14.612 1.00 0.00 O ATOM 888 CB LYS A 66 -1.002 5.717 -14.037 1.00 0.00 C ATOM 889 CG LYS A 66 -1.699 5.139 -15.275 1.00 0.00 C ATOM 890 CD LYS A 66 -2.803 4.130 -14.920 1.00 0.00 C ATOM 891 CE LYS A 66 -2.346 2.975 -14.013 1.00 0.00 C ATOM 892 NZ LYS A 66 -2.279 3.355 -12.583 1.00 0.00 N ATOM 0 H LYS A 66 0.562 6.592 -12.426 1.00 0.00 H new ATOM 0 HA LYS A 66 0.238 6.980 -15.288 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.308 4.975 -13.643 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.748 5.898 -13.263 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.131 5.953 -15.857 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.958 4.652 -15.909 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.618 4.661 -14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.206 3.713 -15.843 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.032 2.136 -14.129 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.364 2.631 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.603 2.559 -11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.298 3.592 -12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.889 4.180 -12.414 1.00 0.00 H new ATOM 902 N ASP A 67 -0.650 9.422 -14.038 1.00 0.00 N ATOM 903 CA ASP A 67 -1.377 10.639 -13.716 1.00 0.00 C ATOM 904 C ASP A 67 -0.348 11.743 -13.447 1.00 0.00 C ATOM 905 O ASP A 67 -0.339 12.767 -14.125 1.00 0.00 O ATOM 906 CB ASP A 67 -2.306 10.399 -12.506 1.00 0.00 C ATOM 907 CG ASP A 67 -1.657 9.589 -11.388 1.00 0.00 C ATOM 908 OD1 ASP A 67 -0.836 10.196 -10.667 1.00 0.00 O ATOM 909 OD2 ASP A 67 -1.925 8.371 -11.316 1.00 0.00 O ATOM 0 H ASP A 67 0.360 9.561 -14.017 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.017 10.945 -14.544 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.625 11.362 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.203 9.881 -12.845 1.00 0.00 H new ATOM 913 N GLY A 68 0.541 11.515 -12.477 1.00 0.00 N ATOM 914 CA GLY A 68 1.510 12.491 -11.996 1.00 0.00 C ATOM 915 C GLY A 68 0.931 13.290 -10.829 1.00 0.00 C ATOM 916 O GLY A 68 1.275 14.454 -10.638 1.00 0.00 O ATOM 0 H GLY A 68 0.605 10.619 -11.994 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.421 11.983 -11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.787 13.167 -12.805 1.00 0.00 H new ATOM 919 N GLN A 69 0.055 12.663 -10.040 1.00 0.00 N ATOM 920 CA GLN A 69 -0.706 13.300 -8.979 1.00 0.00 C ATOM 921 C GLN A 69 0.173 13.672 -7.782 1.00 0.00 C ATOM 922 O GLN A 69 -0.193 14.551 -7.005 1.00 0.00 O ATOM 923 CB GLN A 69 -1.838 12.343 -8.584 1.00 0.00 C ATOM 924 CG GLN A 69 -2.798 12.927 -7.538 1.00 0.00 C ATOM 925 CD GLN A 69 -4.040 12.063 -7.314 1.00 0.00 C ATOM 926 OE1 GLN A 69 -5.034 12.538 -6.774 1.00 0.00 O ATOM 927 NE2 GLN A 69 -4.012 10.793 -7.710 1.00 0.00 N ATOM 0 H GLN A 69 -0.146 11.667 -10.130 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.121 14.243 -9.335 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.405 12.076 -9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.405 11.422 -8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.268 13.043 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.108 13.923 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.176 10.417 -8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.826 10.196 -7.566 1.00 0.00 H new ATOM 934 N THR A 70 1.310 12.996 -7.595 1.00 0.00 N ATOM 935 CA THR A 70 2.193 13.245 -6.466 1.00 0.00 C ATOM 936 C THR A 70 3.633 12.885 -6.827 1.00 0.00 C ATOM 937 O THR A 70 3.914 12.375 -7.914 1.00 0.00 O ATOM 938 CB THR A 70 1.687 12.486 -5.224 1.00 0.00 C ATOM 939 OG1 THR A 70 2.471 12.832 -4.097 1.00 0.00 O ATOM 940 CG2 THR A 70 1.714 10.963 -5.414 1.00 0.00 C ATOM 0 H THR A 70 1.639 12.263 -8.224 1.00 0.00 H new ATOM 0 HA THR A 70 2.184 14.307 -6.222 1.00 0.00 H new ATOM 0 HB THR A 70 0.649 12.780 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.144 12.348 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.348 10.477 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.078 10.690 -6.256 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.736 10.639 -5.611 1.00 0.00 H new ATOM 948 N ASN A 71 4.545 13.121 -5.881 1.00 0.00 N ATOM 949 CA ASN A 71 5.936 12.702 -5.975 1.00 0.00 C ATOM 950 C ASN A 71 6.007 11.212 -5.670 1.00 0.00 C ATOM 951 O ASN A 71 6.489 10.792 -4.622 1.00 0.00 O ATOM 952 CB ASN A 71 6.827 13.539 -5.052 1.00 0.00 C ATOM 953 CG ASN A 71 7.215 14.861 -5.704 1.00 0.00 C ATOM 954 OD1 ASN A 71 7.822 14.873 -6.772 1.00 0.00 O ATOM 955 ND2 ASN A 71 6.872 15.985 -5.080 1.00 0.00 N ATOM 0 H ASN A 71 4.329 13.617 -5.016 1.00 0.00 H new ATOM 0 HA ASN A 71 6.316 12.870 -6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.303 13.733 -4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.727 12.976 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.113 16.888 -5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.368 15.943 -4.194 1.00 0.00 H new ATOM 961 N CYS A 72 5.499 10.422 -6.610 1.00 0.00 N ATOM 962 CA CYS A 72 5.564 8.970 -6.622 1.00 0.00 C ATOM 963 C CYS A 72 6.994 8.534 -6.970 1.00 0.00 C ATOM 964 O CYS A 72 7.510 8.843 -8.041 1.00 0.00 O ATOM 965 CB CYS A 72 4.496 8.438 -7.589 1.00 0.00 C ATOM 966 SG CYS A 72 4.539 9.129 -9.258 1.00 0.00 S ATOM 0 H CYS A 72 5.008 10.797 -7.421 1.00 0.00 H new ATOM 0 HA CYS A 72 5.343 8.545 -5.643 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.603 7.356 -7.660 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.513 8.633 -7.160 1.00 0.00 H new ATOM 970 N TYR A 73 7.665 7.858 -6.034 1.00 0.00 N ATOM 971 CA TYR A 73 9.026 7.351 -6.169 1.00 0.00 C ATOM 972 C TYR A 73 9.001 5.828 -6.255 1.00 0.00 C ATOM 973 O TYR A 73 8.313 5.190 -5.458 1.00 0.00 O ATOM 974 CB TYR A 73 9.863 7.774 -4.960 1.00 0.00 C ATOM 975 CG TYR A 73 10.590 9.094 -5.115 1.00 0.00 C ATOM 976 CD1 TYR A 73 9.880 10.302 -5.063 1.00 0.00 C ATOM 977 CD2 TYR A 73 11.992 9.118 -5.155 1.00 0.00 C ATOM 978 CE1 TYR A 73 10.567 11.528 -5.054 1.00 0.00 C ATOM 979 CE2 TYR A 73 12.687 10.340 -5.153 1.00 0.00 C ATOM 980 CZ TYR A 73 11.971 11.544 -5.049 1.00 0.00 C ATOM 981 OH TYR A 73 12.631 12.736 -5.030 1.00 0.00 O ATOM 0 H TYR A 73 7.255 7.642 -5.125 1.00 0.00 H new ATOM 0 HA TYR A 73 9.468 7.762 -7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.211 7.836 -4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.596 6.994 -4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.801 10.290 -5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.542 8.189 -5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.016 12.457 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.764 10.353 -5.231 1.00 0.00 H new ATOM 0 HH TYR A 73 13.598 12.575 -5.028 1.00 0.00 H new ATOM 990 N GLN A 74 9.763 5.261 -7.197 1.00 0.00 N ATOM 991 CA GLN A 74 9.889 3.824 -7.406 1.00 0.00 C ATOM 992 C GLN A 74 10.972 3.256 -6.493 1.00 0.00 C ATOM 993 O GLN A 74 12.062 3.819 -6.388 1.00 0.00 O ATOM 994 CB GLN A 74 10.202 3.534 -8.884 1.00 0.00 C ATOM 995 CG GLN A 74 10.304 2.030 -9.196 1.00 0.00 C ATOM 996 CD GLN A 74 10.497 1.756 -10.686 1.00 0.00 C ATOM 997 OE1 GLN A 74 11.420 2.294 -11.292 1.00 0.00 O ATOM 998 NE2 GLN A 74 9.669 0.914 -11.305 1.00 0.00 N ATOM 0 H GLN A 74 10.323 5.809 -7.850 1.00 0.00 H new ATOM 0 HA GLN A 74 8.946 3.339 -7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.425 3.976 -9.507 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.140 4.019 -9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.138 1.602 -8.640 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.400 1.528 -8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.907 0.475 -10.788 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.797 0.709 -12.296 1.00 0.00 H new ATOM 1005 N SER A 75 10.676 2.129 -5.843 1.00 0.00 N ATOM 1006 CA SER A 75 11.618 1.475 -4.953 1.00 0.00 C ATOM 1007 C SER A 75 12.858 0.954 -5.681 1.00 0.00 C ATOM 1008 O SER A 75 12.812 0.642 -6.870 1.00 0.00 O ATOM 1009 CB SER A 75 10.888 0.397 -4.145 1.00 0.00 C ATOM 1010 OG SER A 75 10.416 -0.674 -4.942 1.00 0.00 O ATOM 0 H SER A 75 9.778 1.651 -5.923 1.00 0.00 H new ATOM 0 HA SER A 75 12.010 2.214 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.562 0.005 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.046 0.851 -3.623 1.00 0.00 H new ATOM 0 HG SER A 75 11.124 -1.345 -5.041 1.00 0.00 H new ATOM 1015 N LYS A 76 13.972 0.854 -4.947 1.00 0.00 N ATOM 1016 CA LYS A 76 15.268 0.441 -5.469 1.00 0.00 C ATOM 1017 C LYS A 76 15.202 -0.881 -6.244 1.00 0.00 C ATOM 1018 O LYS A 76 15.841 -1.043 -7.282 1.00 0.00 O ATOM 1019 CB LYS A 76 16.293 0.371 -4.323 1.00 0.00 C ATOM 1020 CG LYS A 76 15.864 -0.513 -3.141 1.00 0.00 C ATOM 1021 CD LYS A 76 17.007 -0.735 -2.143 1.00 0.00 C ATOM 1022 CE LYS A 76 16.806 -2.025 -1.330 1.00 0.00 C ATOM 1023 NZ LYS A 76 17.016 -3.253 -2.125 1.00 0.00 N ATOM 0 H LYS A 76 13.992 1.065 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 76 15.589 1.193 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.237 -0.005 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.480 1.380 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.021 -0.049 -2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.518 -1.476 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.954 -0.786 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.070 0.117 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.494 -2.025 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.796 -2.034 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.883 -4.087 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.331 -3.281 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.982 -3.256 -2.510 1.00 0.00 H new ATOM 1033 N SER A 77 14.452 -1.841 -5.707 1.00 0.00 N ATOM 1034 CA SER A 77 14.346 -3.209 -6.179 1.00 0.00 C ATOM 1035 C SER A 77 12.889 -3.643 -6.023 1.00 0.00 C ATOM 1036 O SER A 77 12.076 -2.864 -5.519 1.00 0.00 O ATOM 1037 CB SER A 77 15.321 -4.082 -5.369 1.00 0.00 C ATOM 1038 OG SER A 77 15.141 -3.915 -3.968 1.00 0.00 O ATOM 0 H SER A 77 13.872 -1.670 -4.886 1.00 0.00 H new ATOM 0 HA SER A 77 14.618 -3.310 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.175 -5.130 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.346 -3.826 -5.637 1.00 0.00 H new ATOM 0 HG SER A 77 15.376 -4.747 -3.507 1.00 0.00 H new ATOM 1043 N THR A 78 12.558 -4.866 -6.442 1.00 0.00 N ATOM 1044 CA THR A 78 11.241 -5.434 -6.228 1.00 0.00 C ATOM 1045 C THR A 78 11.073 -5.798 -4.752 1.00 0.00 C ATOM 1046 O THR A 78 12.006 -6.270 -4.092 1.00 0.00 O ATOM 1047 CB THR A 78 11.056 -6.644 -7.149 1.00 0.00 C ATOM 1048 OG1 THR A 78 12.240 -7.418 -7.118 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.830 -6.173 -8.590 1.00 0.00 C ATOM 0 H THR A 78 13.200 -5.484 -6.938 1.00 0.00 H new ATOM 0 HA THR A 78 10.467 -4.707 -6.475 1.00 0.00 H new ATOM 0 HB THR A 78 10.198 -7.227 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.136 -8.198 -7.702 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.699 -7.039 -9.239 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.937 -5.549 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.692 -5.596 -8.924 1.00 0.00 H new ATOM 1057 N MET A 79 9.874 -5.553 -4.231 1.00 0.00 N ATOM 1058 CA MET A 79 9.498 -5.663 -2.838 1.00 0.00 C ATOM 1059 C MET A 79 8.233 -6.507 -2.783 1.00 0.00 C ATOM 1060 O MET A 79 7.674 -6.828 -3.831 1.00 0.00 O ATOM 1061 CB MET A 79 9.347 -4.262 -2.245 1.00 0.00 C ATOM 1062 CG MET A 79 10.729 -3.600 -2.303 1.00 0.00 C ATOM 1063 SD MET A 79 10.933 -2.003 -1.507 1.00 0.00 S ATOM 1064 CE MET A 79 12.699 -1.817 -1.836 1.00 0.00 C ATOM 0 H MET A 79 9.093 -5.253 -4.815 1.00 0.00 H new ATOM 0 HA MET A 79 10.255 -6.158 -2.230 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.617 -3.681 -2.809 1.00 0.00 H new ATOM 0 HB3 MET A 79 8.987 -4.315 -1.217 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.448 -4.289 -1.859 1.00 0.00 H new ATOM 0 HG3 MET A 79 11.002 -3.487 -3.352 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.990 -0.778 -1.684 1.00 0.00 H new ATOM 0 HE2 MET A 79 13.265 -2.455 -1.157 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.910 -2.106 -2.866 1.00 0.00 H new ATOM 1072 N ARG A 80 7.841 -6.940 -1.585 1.00 0.00 N ATOM 1073 CA ARG A 80 6.739 -7.870 -1.398 1.00 0.00 C ATOM 1074 C ARG A 80 5.483 -7.046 -1.118 1.00 0.00 C ATOM 1075 O ARG A 80 5.511 -6.141 -0.285 1.00 0.00 O ATOM 1076 CB ARG A 80 7.078 -8.834 -0.249 1.00 0.00 C ATOM 1077 CG ARG A 80 7.868 -10.074 -0.703 1.00 0.00 C ATOM 1078 CD ARG A 80 9.080 -9.800 -1.605 1.00 0.00 C ATOM 1079 NE ARG A 80 10.144 -9.023 -0.936 1.00 0.00 N ATOM 1080 CZ ARG A 80 11.167 -8.438 -1.585 1.00 0.00 C ATOM 1081 NH1 ARG A 80 11.290 -8.589 -2.907 1.00 0.00 N ATOM 1082 NH2 ARG A 80 12.041 -7.660 -0.944 1.00 0.00 N ATOM 0 H ARG A 80 8.285 -6.650 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 80 6.566 -8.480 -2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.657 -8.300 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.153 -9.157 0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.212 -10.607 0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.188 -10.741 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.493 -10.750 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.749 -9.260 -2.492 1.00 0.00 H new ATOM 0 HE ARG A 80 10.100 -8.924 0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.609 -9.147 -3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.065 -8.146 -3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.941 -7.499 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.809 -7.226 -1.456 1.00 0.00 H new ATOM 1093 N ILE A 81 4.386 -7.330 -1.823 1.00 0.00 N ATOM 1094 CA ILE A 81 3.129 -6.614 -1.675 1.00 0.00 C ATOM 1095 C ILE A 81 2.015 -7.635 -1.496 1.00 0.00 C ATOM 1096 O ILE A 81 2.104 -8.757 -1.994 1.00 0.00 O ATOM 1097 CB ILE A 81 2.845 -5.737 -2.903 1.00 0.00 C ATOM 1098 CG1 ILE A 81 4.066 -4.935 -3.382 1.00 0.00 C ATOM 1099 CG2 ILE A 81 1.724 -4.727 -2.647 1.00 0.00 C ATOM 1100 CD1 ILE A 81 4.873 -5.647 -4.463 1.00 0.00 C ATOM 0 H ILE A 81 4.351 -8.074 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 81 3.187 -5.958 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 81 2.556 -6.453 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.731 -3.971 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.715 -4.731 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.560 -4.130 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.807 -5.258 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.005 -4.072 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.719 -5.025 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.238 -6.599 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.239 -5.827 -5.331 1.00 0.00 H new ATOM 1111 N THR A 82 0.970 -7.214 -0.796 1.00 0.00 N ATOM 1112 CA THR A 82 -0.225 -7.973 -0.501 1.00 0.00 C ATOM 1113 C THR A 82 -1.436 -7.077 -0.787 1.00 0.00 C ATOM 1114 O THR A 82 -1.859 -6.291 0.058 1.00 0.00 O ATOM 1115 CB THR A 82 -0.140 -8.496 0.947 1.00 0.00 C ATOM 1116 OG1 THR A 82 0.572 -7.624 1.801 1.00 0.00 O ATOM 1117 CG2 THR A 82 0.647 -9.812 0.988 1.00 0.00 C ATOM 0 H THR A 82 0.938 -6.276 -0.397 1.00 0.00 H new ATOM 0 HA THR A 82 -0.330 -8.857 -1.130 1.00 0.00 H new ATOM 0 HB THR A 82 -1.173 -8.602 1.278 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.462 -7.914 2.731 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.701 -10.172 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.145 -10.555 0.369 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.655 -9.645 0.609 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.975 -7.133 -2.009 1.00 0.00 N ATOM 1126 CA ASP A 83 -3.060 -6.238 -2.384 1.00 0.00 C ATOM 1127 C ASP A 83 -4.363 -6.672 -1.721 1.00 0.00 C ATOM 1128 O ASP A 83 -4.944 -7.665 -2.161 1.00 0.00 O ATOM 1129 CB ASP A 83 -3.208 -6.134 -3.902 1.00 0.00 C ATOM 1130 CG ASP A 83 -4.299 -5.132 -4.246 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -4.090 -3.930 -3.982 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -5.339 -5.552 -4.801 1.00 0.00 O ATOM 0 H ASP A 83 -1.680 -7.779 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.813 -5.240 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.263 -5.824 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.453 -7.110 -4.320 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.818 -5.963 -0.679 1.00 0.00 N ATOM 1137 CA CYS A 84 -5.973 -6.382 0.103 1.00 0.00 C ATOM 1138 C CYS A 84 -7.215 -5.760 -0.518 1.00 0.00 C ATOM 1139 O CYS A 84 -7.302 -4.539 -0.638 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.832 -5.981 1.575 1.00 0.00 C ATOM 1141 SG CYS A 84 -7.107 -6.712 2.625 1.00 0.00 S ATOM 0 H CYS A 84 -4.395 -5.091 -0.362 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.051 -7.469 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.850 -6.286 1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.879 -4.895 1.657 1.00 0.00 H new ATOM 1145 N ARG A 85 -8.143 -6.598 -0.974 1.00 0.00 N ATOM 1146 CA ARG A 85 -9.240 -6.202 -1.841 1.00 0.00 C ATOM 1147 C ARG A 85 -10.526 -6.837 -1.343 1.00 0.00 C ATOM 1148 O ARG A 85 -10.470 -7.961 -0.837 1.00 0.00 O ATOM 1149 CB ARG A 85 -8.896 -6.728 -3.240 1.00 0.00 C ATOM 1150 CG ARG A 85 -9.756 -6.142 -4.365 1.00 0.00 C ATOM 1151 CD ARG A 85 -9.043 -6.330 -5.713 1.00 0.00 C ATOM 1152 NE ARG A 85 -7.810 -5.518 -5.796 1.00 0.00 N ATOM 1153 CZ ARG A 85 -7.626 -4.359 -6.448 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -8.591 -3.832 -7.212 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -6.460 -3.728 -6.309 1.00 0.00 N ATOM 0 H ARG A 85 -8.150 -7.592 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.378 -5.121 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.848 -6.511 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.004 -7.813 -3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.729 -6.633 -4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.937 -5.083 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.796 -7.383 -5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.717 -6.052 -6.523 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.999 -5.884 -5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.486 -4.312 -7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.431 -2.950 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.731 -4.127 -5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.296 -2.846 -6.794 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.673 -6.176 -1.538 1.00 0.00 N ATOM 1167 CA GLU A 86 -12.937 -6.782 -1.158 1.00 0.00 C ATOM 1168 C GLU A 86 -13.360 -7.768 -2.249 1.00 0.00 C ATOM 1169 O GLU A 86 -13.305 -7.470 -3.442 1.00 0.00 O ATOM 1170 CB GLU A 86 -14.045 -5.763 -0.852 1.00 0.00 C ATOM 1171 CG GLU A 86 -14.536 -4.889 -2.010 1.00 0.00 C ATOM 1172 CD GLU A 86 -15.786 -4.138 -1.572 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.651 -3.244 -0.710 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -16.871 -4.533 -2.049 1.00 0.00 O ATOM 0 H GLU A 86 -11.745 -5.244 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.782 -7.311 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.902 -6.306 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.688 -5.104 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.758 -4.185 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.754 -5.507 -2.881 1.00 0.00 H new ATOM 1179 N THR A 87 -13.717 -8.975 -1.820 1.00 0.00 N ATOM 1180 CA THR A 87 -14.199 -10.074 -2.635 1.00 0.00 C ATOM 1181 C THR A 87 -15.338 -10.748 -1.859 1.00 0.00 C ATOM 1182 O THR A 87 -16.104 -10.055 -1.195 1.00 0.00 O ATOM 1183 CB THR A 87 -13.030 -11.014 -2.971 1.00 0.00 C ATOM 1184 OG1 THR A 87 -12.600 -11.702 -1.815 1.00 0.00 O ATOM 1185 CG2 THR A 87 -11.844 -10.239 -3.544 1.00 0.00 C ATOM 0 H THR A 87 -13.673 -9.222 -0.831 1.00 0.00 H new ATOM 0 HA THR A 87 -14.595 -9.743 -3.595 1.00 0.00 H new ATOM 0 HB THR A 87 -13.390 -11.724 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.857 -12.297 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.033 -10.931 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.151 -9.727 -4.456 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.501 -9.506 -2.814 1.00 0.00 H new ATOM 1193 N GLY A 88 -15.466 -12.077 -1.960 1.00 0.00 N ATOM 1194 CA GLY A 88 -16.317 -12.931 -1.138 1.00 0.00 C ATOM 1195 C GLY A 88 -17.647 -12.321 -0.700 1.00 0.00 C ATOM 1196 O GLY A 88 -18.009 -12.418 0.471 1.00 0.00 O ATOM 0 H GLY A 88 -14.947 -12.610 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -16.524 -13.847 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -15.759 -13.217 -0.246 1.00 0.00 H new ATOM 1199 N SER A 89 -18.382 -11.719 -1.638 1.00 0.00 N ATOM 1200 CA SER A 89 -19.690 -11.135 -1.375 1.00 0.00 C ATOM 1201 C SER A 89 -19.605 -10.058 -0.290 1.00 0.00 C ATOM 1202 O SER A 89 -20.419 -10.032 0.631 1.00 0.00 O ATOM 1203 CB SER A 89 -20.705 -12.231 -1.024 1.00 0.00 C ATOM 1204 OG SER A 89 -20.701 -13.227 -2.031 1.00 0.00 O ATOM 0 H SER A 89 -18.080 -11.625 -2.608 1.00 0.00 H new ATOM 0 HA SER A 89 -20.040 -10.642 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.457 -12.674 -0.060 1.00 0.00 H new ATOM 0 HB3 SER A 89 -21.702 -11.800 -0.929 1.00 0.00 H new ATOM 0 HG SER A 89 -21.349 -13.926 -1.803 1.00 0.00 H new ATOM 1209 N SER A 90 -18.627 -9.162 -0.429 1.00 0.00 N ATOM 1210 CA SER A 90 -18.426 -7.975 0.376 1.00 0.00 C ATOM 1211 C SER A 90 -19.731 -7.188 0.561 1.00 0.00 C ATOM 1212 O SER A 90 -20.256 -6.580 -0.370 1.00 0.00 O ATOM 1213 CB SER A 90 -17.320 -7.170 -0.297 1.00 0.00 C ATOM 1214 OG SER A 90 -17.530 -7.069 -1.692 1.00 0.00 O ATOM 0 H SER A 90 -17.915 -9.259 -1.153 1.00 0.00 H new ATOM 0 HA SER A 90 -18.121 -8.231 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.278 -6.172 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.356 -7.642 -0.106 1.00 0.00 H new ATOM 0 HG SER A 90 -17.065 -6.278 -2.036 1.00 0.00 H new ATOM 1219 N LYS A 91 -20.282 -7.231 1.775 1.00 0.00 N ATOM 1220 CA LYS A 91 -21.573 -6.665 2.123 1.00 0.00 C ATOM 1221 C LYS A 91 -21.471 -6.025 3.505 1.00 0.00 C ATOM 1222 O LYS A 91 -21.940 -6.600 4.484 1.00 0.00 O ATOM 1223 CB LYS A 91 -22.628 -7.786 2.097 1.00 0.00 C ATOM 1224 CG LYS A 91 -23.094 -8.149 0.676 1.00 0.00 C ATOM 1225 CD LYS A 91 -23.779 -7.017 -0.107 1.00 0.00 C ATOM 1226 CE LYS A 91 -24.883 -6.284 0.671 1.00 0.00 C ATOM 1227 NZ LYS A 91 -25.911 -7.207 1.191 1.00 0.00 N ATOM 0 H LYS A 91 -19.820 -7.678 2.567 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.871 -5.897 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.216 -8.675 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -23.491 -7.478 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.230 -8.490 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -23.784 -8.990 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.023 -6.293 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -24.208 -7.431 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.437 -5.736 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.355 -5.548 0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.660 -6.662 1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.322 -7.748 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -25.477 -7.862 1.872 1.00 0.00 H new ATOM 1237 N TYR A 92 -20.891 -4.821 3.580 1.00 0.00 N ATOM 1238 CA TYR A 92 -20.725 -4.068 4.822 1.00 0.00 C ATOM 1239 C TYR A 92 -22.018 -4.121 5.653 1.00 0.00 C ATOM 1240 O TYR A 92 -23.086 -3.841 5.110 1.00 0.00 O ATOM 1241 CB TYR A 92 -20.381 -2.610 4.477 1.00 0.00 C ATOM 1242 CG TYR A 92 -20.394 -1.680 5.673 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -19.303 -1.665 6.557 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -21.575 -0.990 6.009 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -19.408 -1.003 7.793 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -21.680 -0.329 7.243 1.00 0.00 C ATOM 1247 CZ TYR A 92 -20.599 -0.341 8.139 1.00 0.00 C ATOM 1248 OH TYR A 92 -20.726 0.239 9.365 1.00 0.00 O ATOM 0 H TYR A 92 -20.518 -4.337 2.763 1.00 0.00 H new ATOM 0 HA TYR A 92 -19.920 -4.508 5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -19.394 -2.579 4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -21.092 -2.244 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -18.383 -2.162 6.287 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -22.402 -0.969 5.315 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -18.573 -1.003 8.477 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -22.592 0.188 7.503 1.00 0.00 H new ATOM 0 HH TYR A 92 -19.857 0.589 9.653 1.00 0.00 H new ATOM 1257 N PRO A 93 -21.956 -4.488 6.946 1.00 0.00 N ATOM 1258 CA PRO A 93 -20.758 -4.700 7.755 1.00 0.00 C ATOM 1259 C PRO A 93 -19.996 -5.995 7.445 1.00 0.00 C ATOM 1260 O PRO A 93 -18.820 -6.104 7.785 1.00 0.00 O ATOM 1261 CB PRO A 93 -21.248 -4.699 9.200 1.00 0.00 C ATOM 1262 CG PRO A 93 -22.687 -5.188 9.098 1.00 0.00 C ATOM 1263 CD PRO A 93 -23.146 -4.580 7.774 1.00 0.00 C ATOM 0 HA PRO A 93 -20.033 -3.915 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -20.646 -5.357 9.827 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -21.194 -3.703 9.640 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -22.747 -6.276 9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -23.294 -4.843 9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -23.905 -5.203 7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -23.591 -3.597 7.929 1.00 0.00 H new ATOM 1268 N ASN A 94 -20.628 -6.962 6.778 1.00 0.00 N ATOM 1269 CA ASN A 94 -19.999 -8.206 6.347 1.00 0.00 C ATOM 1270 C ASN A 94 -19.093 -7.941 5.138 1.00 0.00 C ATOM 1271 O ASN A 94 -19.297 -8.496 4.060 1.00 0.00 O ATOM 1272 CB ASN A 94 -21.096 -9.254 6.051 1.00 0.00 C ATOM 1273 CG ASN A 94 -21.446 -10.088 7.280 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -21.475 -11.313 7.222 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -21.720 -9.438 8.407 1.00 0.00 N ATOM 0 H ASN A 94 -21.612 -6.898 6.518 1.00 0.00 H new ATOM 0 HA ASN A 94 -19.364 -8.607 7.137 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -21.992 -8.748 5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -20.759 -9.913 5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -21.961 -9.959 9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -21.689 -8.419 8.428 1.00 0.00 H new ATOM 1281 N CYS A 95 -18.077 -7.087 5.293 1.00 0.00 N ATOM 1282 CA CYS A 95 -17.038 -6.966 4.274 1.00 0.00 C ATOM 1283 C CYS A 95 -16.160 -8.213 4.313 1.00 0.00 C ATOM 1284 O CYS A 95 -16.045 -8.867 5.347 1.00 0.00 O ATOM 1285 CB CYS A 95 -16.205 -5.689 4.406 1.00 0.00 C ATOM 1286 SG CYS A 95 -17.057 -4.218 3.798 1.00 0.00 S ATOM 0 H CYS A 95 -17.955 -6.479 6.103 1.00 0.00 H new ATOM 0 HA CYS A 95 -17.528 -6.887 3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -15.941 -5.541 5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -15.272 -5.813 3.857 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.560 -8.547 3.170 1.00 0.00 N ATOM 1291 CA ALA A 96 -14.878 -9.808 2.941 1.00 0.00 C ATOM 1292 C ALA A 96 -13.607 -9.521 2.148 1.00 0.00 C ATOM 1293 O ALA A 96 -13.691 -9.243 0.957 1.00 0.00 O ATOM 1294 CB ALA A 96 -15.837 -10.704 2.154 1.00 0.00 C ATOM 0 H ALA A 96 -15.538 -7.927 2.360 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.599 -10.307 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.361 -11.665 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.747 -10.860 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.087 -10.226 1.207 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.445 -9.532 2.803 1.00 0.00 N ATOM 1301 CA TYR A 97 -11.182 -9.102 2.214 1.00 0.00 C ATOM 1302 C TYR A 97 -10.303 -10.305 1.841 1.00 0.00 C ATOM 1303 O TYR A 97 -10.160 -11.217 2.660 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.460 -8.229 3.237 1.00 0.00 C ATOM 1305 CG TYR A 97 -11.008 -6.825 3.407 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -10.433 -5.776 2.671 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -11.916 -6.529 4.440 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -10.576 -4.451 3.112 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -12.139 -5.191 4.818 1.00 0.00 C ATOM 1310 CZ TYR A 97 -11.420 -4.153 4.196 1.00 0.00 C ATOM 1311 OH TYR A 97 -11.494 -2.875 4.679 1.00 0.00 O ATOM 0 H TYR A 97 -12.357 -9.844 3.770 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.379 -8.544 1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.493 -8.732 4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.411 -8.157 2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.882 -5.988 1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.442 -7.327 4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.036 -3.658 2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -12.863 -4.961 5.586 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.741 -2.351 4.334 1.00 0.00 H new ATOM 1320 N LYS A 98 -9.680 -10.294 0.650 1.00 0.00 N ATOM 1321 CA LYS A 98 -8.611 -11.228 0.279 1.00 0.00 C ATOM 1322 C LYS A 98 -7.376 -10.438 -0.152 1.00 0.00 C ATOM 1323 O LYS A 98 -7.516 -9.376 -0.759 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.042 -12.231 -0.815 1.00 0.00 C ATOM 1325 CG LYS A 98 -8.727 -11.774 -2.254 1.00 0.00 C ATOM 1326 CD LYS A 98 -9.019 -12.865 -3.295 1.00 0.00 C ATOM 1327 CE LYS A 98 -8.481 -12.419 -4.667 1.00 0.00 C ATOM 1328 NZ LYS A 98 -8.654 -13.453 -5.709 1.00 0.00 N ATOM 0 H LYS A 98 -9.909 -9.628 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.374 -11.829 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.547 -13.185 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -10.114 -12.407 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.316 -10.887 -2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.678 -11.486 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.551 -13.803 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.092 -13.049 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.994 -11.508 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.423 -12.174 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.276 -13.102 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.143 -14.315 -5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.665 -13.670 -5.818 1.00 0.00 H new ATOM 1338 N THR A 99 -6.181 -10.969 0.136 1.00 0.00 N ATOM 1339 CA THR A 99 -4.910 -10.402 -0.306 1.00 0.00 C ATOM 1340 C THR A 99 -4.455 -11.087 -1.599 1.00 0.00 C ATOM 1341 O THR A 99 -4.433 -12.317 -1.678 1.00 0.00 O ATOM 1342 CB THR A 99 -3.852 -10.454 0.822 1.00 0.00 C ATOM 1343 OG1 THR A 99 -3.643 -9.167 1.363 1.00 0.00 O ATOM 1344 CG2 THR A 99 -2.466 -10.925 0.381 1.00 0.00 C ATOM 0 H THR A 99 -6.073 -11.818 0.691 1.00 0.00 H new ATOM 0 HA THR A 99 -5.044 -9.345 -0.535 1.00 0.00 H new ATOM 0 HB THR A 99 -4.268 -11.168 1.533 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.486 -8.825 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.793 -10.929 1.238 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.537 -11.933 -0.029 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.078 -10.250 -0.382 1.00 0.00 H new ATOM 1352 N THR A 100 -4.065 -10.297 -2.600 1.00 0.00 N ATOM 1353 CA THR A 100 -3.393 -10.788 -3.794 1.00 0.00 C ATOM 1354 C THR A 100 -1.901 -10.479 -3.632 1.00 0.00 C ATOM 1355 O THR A 100 -1.491 -9.324 -3.730 1.00 0.00 O ATOM 1356 CB THR A 100 -4.018 -10.149 -5.043 1.00 0.00 C ATOM 1357 OG1 THR A 100 -5.430 -10.200 -4.936 1.00 0.00 O ATOM 1358 CG2 THR A 100 -3.593 -10.887 -6.316 1.00 0.00 C ATOM 0 H THR A 100 -4.211 -9.287 -2.600 1.00 0.00 H new ATOM 0 HA THR A 100 -3.511 -11.864 -3.921 1.00 0.00 H new ATOM 0 HB THR A 100 -3.673 -9.117 -5.107 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.833 -9.792 -5.730 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.052 -10.411 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.508 -10.850 -6.413 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.917 -11.926 -6.259 1.00 0.00 H new ATOM 1366 N GLN A 101 -1.100 -11.497 -3.306 1.00 0.00 N ATOM 1367 CA GLN A 101 0.332 -11.340 -3.084 1.00 0.00 C ATOM 1368 C GLN A 101 1.031 -11.095 -4.426 1.00 0.00 C ATOM 1369 O GLN A 101 0.773 -11.843 -5.367 1.00 0.00 O ATOM 1370 CB GLN A 101 0.875 -12.599 -2.390 1.00 0.00 C ATOM 1371 CG GLN A 101 2.248 -12.348 -1.748 1.00 0.00 C ATOM 1372 CD GLN A 101 2.953 -13.633 -1.321 1.00 0.00 C ATOM 1373 OE1 GLN A 101 4.161 -13.762 -1.478 1.00 0.00 O ATOM 1374 NE2 GLN A 101 2.219 -14.595 -0.768 1.00 0.00 N ATOM 0 H GLN A 101 -1.432 -12.455 -3.189 1.00 0.00 H new ATOM 0 HA GLN A 101 0.526 -10.482 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.170 -12.925 -1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.955 -13.408 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.880 -11.811 -2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.123 -11.703 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.215 -14.465 -0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.661 -15.463 -0.464 1.00 0.00 H new ATOM 1381 N VAL A 102 1.905 -10.084 -4.528 1.00 0.00 N ATOM 1382 CA VAL A 102 2.727 -9.866 -5.718 1.00 0.00 C ATOM 1383 C VAL A 102 4.100 -9.307 -5.325 1.00 0.00 C ATOM 1384 O VAL A 102 4.324 -8.929 -4.173 1.00 0.00 O ATOM 1385 CB VAL A 102 2.014 -8.962 -6.751 1.00 0.00 C ATOM 1386 CG1 VAL A 102 0.827 -9.635 -7.447 1.00 0.00 C ATOM 1387 CG2 VAL A 102 1.553 -7.629 -6.153 1.00 0.00 C ATOM 0 H VAL A 102 2.059 -9.399 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 102 2.881 -10.830 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 102 2.780 -8.771 -7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.379 -8.939 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.172 -10.522 -7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.084 -9.923 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.060 -7.036 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.855 -7.818 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.416 -7.083 -5.772 1.00 0.00 H new ATOM 1397 N GLU A 103 4.999 -9.258 -6.313 1.00 0.00 N ATOM 1398 CA GLU A 103 6.386 -8.822 -6.273 1.00 0.00 C ATOM 1399 C GLU A 103 6.607 -7.748 -7.339 1.00 0.00 C ATOM 1400 O GLU A 103 6.488 -8.007 -8.538 1.00 0.00 O ATOM 1401 CB GLU A 103 7.345 -10.010 -6.462 1.00 0.00 C ATOM 1402 CG GLU A 103 7.183 -10.853 -7.747 1.00 0.00 C ATOM 1403 CD GLU A 103 5.790 -11.431 -7.986 1.00 0.00 C ATOM 1404 OE1 GLU A 103 4.952 -10.681 -8.550 1.00 0.00 O ATOM 1405 OE2 GLU A 103 5.560 -12.576 -7.554 1.00 0.00 O ATOM 0 H GLU A 103 4.740 -9.555 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 103 6.601 -8.395 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.365 -9.628 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.232 -10.675 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.451 -10.233 -8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.897 -11.676 -7.713 1.00 0.00 H new ATOM 1410 N LYS A 104 6.858 -6.513 -6.921 1.00 0.00 N ATOM 1411 CA LYS A 104 6.967 -5.369 -7.816 1.00 0.00 C ATOM 1412 C LYS A 104 7.787 -4.313 -7.094 1.00 0.00 C ATOM 1413 O LYS A 104 7.941 -4.406 -5.877 1.00 0.00 O ATOM 1414 CB LYS A 104 5.575 -4.813 -8.148 1.00 0.00 C ATOM 1415 CG LYS A 104 4.822 -5.587 -9.228 1.00 0.00 C ATOM 1416 CD LYS A 104 3.777 -6.539 -8.638 1.00 0.00 C ATOM 1417 CE LYS A 104 3.359 -7.523 -9.734 1.00 0.00 C ATOM 1418 NZ LYS A 104 4.356 -8.601 -9.952 1.00 0.00 N ATOM 0 H LYS A 104 6.993 -6.276 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 104 7.441 -5.661 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.974 -4.807 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.679 -3.776 -8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.331 -4.884 -9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.533 -6.157 -9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.189 -7.074 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.913 -5.980 -8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.401 -7.969 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.210 -6.979 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.289 -8.943 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.312 -8.230 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.167 -9.386 -9.297 1.00 0.00 H new ATOM 1428 N HIS A 105 8.324 -3.320 -7.806 1.00 0.00 N ATOM 1429 CA HIS A 105 8.856 -2.170 -7.095 1.00 0.00 C ATOM 1430 C HIS A 105 7.648 -1.507 -6.450 1.00 0.00 C ATOM 1431 O HIS A 105 6.671 -1.256 -7.153 1.00 0.00 O ATOM 1432 CB HIS A 105 9.517 -1.145 -8.020 1.00 0.00 C ATOM 1433 CG HIS A 105 10.494 -1.704 -9.015 1.00 0.00 C ATOM 1434 ND1 HIS A 105 10.166 -2.130 -10.282 1.00 0.00 N ATOM 1435 CD2 HIS A 105 11.853 -1.746 -8.888 1.00 0.00 C ATOM 1436 CE1 HIS A 105 11.304 -2.433 -10.926 1.00 0.00 C ATOM 1437 NE2 HIS A 105 12.342 -2.204 -10.096 1.00 0.00 N ATOM 0 H HIS A 105 8.398 -3.290 -8.823 1.00 0.00 H new ATOM 0 HA HIS A 105 9.621 -2.500 -6.392 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.735 -0.615 -8.564 1.00 0.00 H new ATOM 0 HB3 HIS A 105 10.033 -0.407 -7.406 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.431 -1.475 -8.017 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.376 -2.799 -11.940 1.00 0.00 H new ATOM 0 HE2 HIS A 105 13.326 -2.346 -10.323 1.00 0.00 H new ATOM 1445 N ILE A 106 7.681 -1.217 -5.155 1.00 0.00 N ATOM 1446 CA ILE A 106 6.625 -0.396 -4.587 1.00 0.00 C ATOM 1447 C ILE A 106 6.874 1.031 -5.067 1.00 0.00 C ATOM 1448 O ILE A 106 8.019 1.483 -5.118 1.00 0.00 O ATOM 1449 CB ILE A 106 6.544 -0.523 -3.055 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.877 -0.221 -2.355 1.00 0.00 C ATOM 1451 CG2 ILE A 106 5.987 -1.911 -2.715 1.00 0.00 C ATOM 1452 CD1 ILE A 106 7.816 -0.331 -0.831 1.00 0.00 C ATOM 0 H ILE A 106 8.400 -1.526 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 106 5.645 -0.733 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 106 5.866 0.238 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.636 -0.908 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.198 0.785 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.922 -2.022 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.995 -2.022 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.649 -2.677 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.795 -0.103 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.082 0.376 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.527 -1.344 -0.551 1.00 0.00 H new ATOM 1463 N ILE A 107 5.808 1.718 -5.463 1.00 0.00 N ATOM 1464 CA ILE A 107 5.837 3.117 -5.828 1.00 0.00 C ATOM 1465 C ILE A 107 5.170 3.851 -4.663 1.00 0.00 C ATOM 1466 O ILE A 107 3.996 3.594 -4.382 1.00 0.00 O ATOM 1467 CB ILE A 107 5.120 3.370 -7.167 1.00 0.00 C ATOM 1468 CG1 ILE A 107 5.411 2.336 -8.271 1.00 0.00 C ATOM 1469 CG2 ILE A 107 5.460 4.787 -7.639 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.867 2.223 -8.702 1.00 0.00 C ATOM 0 H ILE A 107 4.880 1.301 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 107 6.854 3.474 -5.987 1.00 0.00 H new ATOM 0 HB ILE A 107 4.052 3.261 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.077 1.358 -7.925 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.811 2.587 -9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.960 4.984 -8.587 1.00 0.00 H new ATOM 0 HG22 ILE A 107 5.124 5.509 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.538 4.878 -7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.958 1.467 -9.482 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.208 3.184 -9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.479 1.936 -7.846 1.00 0.00 H new ATOM 1481 N VAL A 108 5.907 4.710 -3.947 1.00 0.00 N ATOM 1482 CA VAL A 108 5.369 5.410 -2.781 1.00 0.00 C ATOM 1483 C VAL A 108 5.505 6.920 -2.953 1.00 0.00 C ATOM 1484 O VAL A 108 6.472 7.407 -3.534 1.00 0.00 O ATOM 1485 CB VAL A 108 5.927 4.878 -1.441 1.00 0.00 C ATOM 1486 CG1 VAL A 108 6.191 3.366 -1.488 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.169 5.619 -0.929 1.00 0.00 C ATOM 0 H VAL A 108 6.879 4.935 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 108 4.302 5.192 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 108 5.134 5.079 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.582 3.035 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.260 2.841 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.918 3.148 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.492 5.180 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.971 5.534 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.928 6.671 -0.776 1.00 0.00 H new ATOM 1497 N ALA A 109 4.512 7.652 -2.457 1.00 0.00 N ATOM 1498 CA ALA A 109 4.453 9.096 -2.488 1.00 0.00 C ATOM 1499 C ALA A 109 5.386 9.648 -1.416 1.00 0.00 C ATOM 1500 O ALA A 109 5.154 9.426 -0.226 1.00 0.00 O ATOM 1501 CB ALA A 109 3.020 9.534 -2.210 1.00 0.00 C ATOM 0 H ALA A 109 3.699 7.232 -2.007 1.00 0.00 H new ATOM 0 HA ALA A 109 4.762 9.472 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.962 10.622 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.359 9.121 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.713 9.173 -1.229 1.00 0.00 H new ATOM 1507 N CYS A 110 6.425 10.365 -1.832 1.00 0.00 N ATOM 1508 CA CYS A 110 7.403 10.982 -0.951 1.00 0.00 C ATOM 1509 C CYS A 110 7.023 12.437 -0.696 1.00 0.00 C ATOM 1510 O CYS A 110 6.451 13.086 -1.572 1.00 0.00 O ATOM 1511 CB CYS A 110 8.761 10.925 -1.634 1.00 0.00 C ATOM 1512 SG CYS A 110 10.156 11.414 -0.609 1.00 0.00 S ATOM 0 H CYS A 110 6.613 10.536 -2.820 1.00 0.00 H new ATOM 0 HA CYS A 110 7.434 10.454 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.930 9.908 -1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 110 8.734 11.568 -2.514 1.00 0.00 H new ATOM 1516 N GLY A 111 7.316 12.960 0.493 1.00 0.00 N ATOM 1517 CA GLY A 111 6.961 14.320 0.859 1.00 0.00 C ATOM 1518 C GLY A 111 7.209 14.534 2.347 1.00 0.00 C ATOM 1519 O GLY A 111 8.096 13.907 2.916 1.00 0.00 O ATOM 0 H GLY A 111 7.807 12.449 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.550 15.029 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.913 14.508 0.625 1.00 0.00 H new ATOM 1522 N GLY A 112 6.415 15.417 2.962 1.00 0.00 N ATOM 1523 CA GLY A 112 6.370 15.603 4.407 1.00 0.00 C ATOM 1524 C GLY A 112 7.699 16.071 4.995 1.00 0.00 C ATOM 1525 O GLY A 112 8.112 15.541 6.022 1.00 0.00 O ATOM 0 H GLY A 112 5.776 16.031 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.596 16.332 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.082 14.664 4.879 1.00 0.00 H new ATOM 1528 N LYS A 113 8.312 17.078 4.351 1.00 0.00 N ATOM 1529 CA LYS A 113 9.637 17.632 4.631 1.00 0.00 C ATOM 1530 C LYS A 113 10.162 17.329 6.051 1.00 0.00 C ATOM 1531 O LYS A 113 9.573 17.809 7.020 1.00 0.00 O ATOM 1532 CB LYS A 113 9.661 19.136 4.310 1.00 0.00 C ATOM 1533 CG LYS A 113 8.603 19.978 5.044 1.00 0.00 C ATOM 1534 CD LYS A 113 8.765 21.459 4.674 1.00 0.00 C ATOM 1535 CE LYS A 113 7.757 22.321 5.448 1.00 0.00 C ATOM 1536 NZ LYS A 113 7.916 23.763 5.158 1.00 0.00 N ATOM 0 H LYS A 113 7.861 17.555 3.570 1.00 0.00 H new ATOM 0 HA LYS A 113 10.336 17.120 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.648 19.528 4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 113 9.524 19.265 3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 113 7.603 19.635 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.707 19.850 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.780 21.787 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.617 21.590 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.744 22.010 5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.882 22.151 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.215 24.306 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.874 24.067 5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.771 23.931 4.142 1.00 0.00 H new ATOM 1546 N PRO A 114 11.264 16.576 6.215 1.00 0.00 N ATOM 1547 CA PRO A 114 12.189 16.110 5.184 1.00 0.00 C ATOM 1548 C PRO A 114 11.584 15.001 4.313 1.00 0.00 C ATOM 1549 O PRO A 114 10.433 14.627 4.486 1.00 0.00 O ATOM 1550 CB PRO A 114 13.422 15.621 5.956 1.00 0.00 C ATOM 1551 CG PRO A 114 12.837 15.153 7.286 1.00 0.00 C ATOM 1552 CD PRO A 114 11.727 16.172 7.532 1.00 0.00 C ATOM 0 HA PRO A 114 12.435 16.904 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.930 14.811 5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.152 16.418 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 114 12.449 14.136 7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 114 13.581 15.162 8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.916 15.735 8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 114 12.099 17.028 8.096 1.00 0.00 H new ATOM 1557 N SER A 115 12.365 14.505 3.351 1.00 0.00 N ATOM 1558 CA SER A 115 11.988 13.444 2.422 1.00 0.00 C ATOM 1559 C SER A 115 11.563 12.184 3.181 1.00 0.00 C ATOM 1560 O SER A 115 12.417 11.377 3.548 1.00 0.00 O ATOM 1561 CB SER A 115 13.207 13.183 1.517 1.00 0.00 C ATOM 1562 OG SER A 115 12.918 12.312 0.449 1.00 0.00 O ATOM 0 H SER A 115 13.313 14.846 3.194 1.00 0.00 H new ATOM 0 HA SER A 115 11.131 13.739 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.568 14.131 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 115 14.014 12.761 2.116 1.00 0.00 H new ATOM 0 HG SER A 115 11.948 12.270 0.314 1.00 0.00 H new ATOM 1567 N VAL A 116 10.257 12.008 3.416 1.00 0.00 N ATOM 1568 CA VAL A 116 9.705 10.802 4.019 1.00 0.00 C ATOM 1569 C VAL A 116 8.496 10.323 3.210 1.00 0.00 C ATOM 1570 O VAL A 116 7.806 11.129 2.584 1.00 0.00 O ATOM 1571 CB VAL A 116 9.351 11.036 5.497 1.00 0.00 C ATOM 1572 CG1 VAL A 116 10.593 11.488 6.271 1.00 0.00 C ATOM 1573 CG2 VAL A 116 8.222 12.056 5.686 1.00 0.00 C ATOM 0 H VAL A 116 9.552 12.709 3.188 1.00 0.00 H new ATOM 0 HA VAL A 116 10.460 10.016 3.997 1.00 0.00 H new ATOM 0 HB VAL A 116 8.992 10.084 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.331 11.651 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.363 10.719 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.971 12.416 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.017 12.179 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.522 13.014 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.323 11.701 5.182 1.00 0.00 H new ATOM 1583 N PRO A 117 8.242 9.010 3.173 1.00 0.00 N ATOM 1584 CA PRO A 117 7.092 8.467 2.472 1.00 0.00 C ATOM 1585 C PRO A 117 5.813 8.814 3.246 1.00 0.00 C ATOM 1586 O PRO A 117 5.751 8.595 4.455 1.00 0.00 O ATOM 1587 CB PRO A 117 7.382 6.971 2.351 1.00 0.00 C ATOM 1588 CG PRO A 117 8.278 6.678 3.552 1.00 0.00 C ATOM 1589 CD PRO A 117 9.100 7.950 3.683 1.00 0.00 C ATOM 0 HA PRO A 117 6.930 8.882 1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 117 6.466 6.382 2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.882 6.735 1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 117 7.695 6.480 4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 117 8.909 5.805 3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 117 9.379 8.134 4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.025 7.882 3.111 1.00 0.00 H new ATOM 1594 N VAL A 118 4.818 9.391 2.561 1.00 0.00 N ATOM 1595 CA VAL A 118 3.576 9.895 3.155 1.00 0.00 C ATOM 1596 C VAL A 118 2.317 9.247 2.570 1.00 0.00 C ATOM 1597 O VAL A 118 1.251 9.330 3.180 1.00 0.00 O ATOM 1598 CB VAL A 118 3.497 11.429 3.046 1.00 0.00 C ATOM 1599 CG1 VAL A 118 4.568 12.105 3.908 1.00 0.00 C ATOM 1600 CG2 VAL A 118 3.621 11.927 1.599 1.00 0.00 C ATOM 0 H VAL A 118 4.857 9.523 1.550 1.00 0.00 H new ATOM 0 HA VAL A 118 3.608 9.613 4.208 1.00 0.00 H new ATOM 0 HB VAL A 118 2.508 11.703 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 118 4.485 13.187 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.426 11.824 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.556 11.785 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.559 13.015 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.580 11.612 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.813 11.508 0.999 1.00 0.00 H new ATOM 1610 N HIS A 119 2.396 8.627 1.389 1.00 0.00 N ATOM 1611 CA HIS A 119 1.293 7.857 0.826 1.00 0.00 C ATOM 1612 C HIS A 119 1.887 6.722 -0.002 1.00 0.00 C ATOM 1613 O HIS A 119 3.070 6.755 -0.326 1.00 0.00 O ATOM 1614 CB HIS A 119 0.337 8.756 0.026 1.00 0.00 C ATOM 1615 CG HIS A 119 -1.063 8.213 -0.114 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -1.563 7.504 -1.193 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -2.086 8.423 0.769 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -2.871 7.289 -0.968 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.211 7.840 0.216 1.00 0.00 N ATOM 0 H HIS A 119 3.228 8.647 0.800 1.00 0.00 H new ATOM 0 HA HIS A 119 0.681 7.426 1.618 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.288 9.732 0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.753 8.913 -0.969 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.035 7.200 -2.011 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -2.027 8.943 1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.542 6.760 -1.629 1.00 0.00 H new ATOM 1627 N PHE A 120 1.084 5.716 -0.343 1.00 0.00 N ATOM 1628 CA PHE A 120 1.451 4.687 -1.308 1.00 0.00 C ATOM 1629 C PHE A 120 0.822 5.091 -2.643 1.00 0.00 C ATOM 1630 O PHE A 120 -0.283 5.641 -2.631 1.00 0.00 O ATOM 1631 CB PHE A 120 0.963 3.322 -0.805 1.00 0.00 C ATOM 1632 CG PHE A 120 0.864 2.253 -1.869 1.00 0.00 C ATOM 1633 CD1 PHE A 120 1.978 1.445 -2.160 1.00 0.00 C ATOM 1634 CD2 PHE A 120 -0.322 2.108 -2.613 1.00 0.00 C ATOM 1635 CE1 PHE A 120 1.885 0.455 -3.150 1.00 0.00 C ATOM 1636 CE2 PHE A 120 -0.402 1.139 -3.628 1.00 0.00 C ATOM 1637 CZ PHE A 120 0.693 0.298 -3.879 1.00 0.00 C ATOM 0 H PHE A 120 0.150 5.593 0.049 1.00 0.00 H new ATOM 0 HA PHE A 120 2.530 4.599 -1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.639 2.976 -0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.017 3.449 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.904 1.586 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.171 2.742 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.730 -0.187 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.304 1.042 -4.214 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.620 -0.471 -4.634 1.00 0.00 H new ATOM 1646 N ASP A 121 1.525 4.882 -3.759 1.00 0.00 N ATOM 1647 CA ASP A 121 1.050 5.250 -5.085 1.00 0.00 C ATOM 1648 C ASP A 121 0.553 4.010 -5.832 1.00 0.00 C ATOM 1649 O ASP A 121 -0.626 3.917 -6.170 1.00 0.00 O ATOM 1650 CB ASP A 121 2.176 5.961 -5.840 1.00 0.00 C ATOM 1651 CG ASP A 121 1.728 6.336 -7.242 1.00 0.00 C ATOM 1652 OD1 ASP A 121 1.017 7.356 -7.339 1.00 0.00 O ATOM 1653 OD2 ASP A 121 2.114 5.605 -8.178 1.00 0.00 O ATOM 0 H ASP A 121 2.448 4.448 -3.762 1.00 0.00 H new ATOM 0 HA ASP A 121 0.206 5.935 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.476 6.857 -5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.051 5.313 -5.893 1.00 0.00 H new ATOM 1657 N ALA A 122 1.447 3.049 -6.073 1.00 0.00 N ATOM 1658 CA ALA A 122 1.195 1.878 -6.907 1.00 0.00 C ATOM 1659 C ALA A 122 2.331 0.881 -6.684 1.00 0.00 C ATOM 1660 O ALA A 122 3.168 1.113 -5.815 1.00 0.00 O ATOM 1661 CB ALA A 122 1.116 2.309 -8.378 1.00 0.00 C ATOM 0 H ALA A 122 2.389 3.066 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 122 0.248 1.407 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.928 1.436 -9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 122 0.306 3.027 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 122 2.058 2.770 -8.673 1.00 0.00 H new ATOM 1667 N SER A 123 2.404 -0.199 -7.470 1.00 0.00 N ATOM 1668 CA SER A 123 3.557 -1.092 -7.458 1.00 0.00 C ATOM 1669 C SER A 123 3.853 -1.574 -8.879 1.00 0.00 C ATOM 1670 O SER A 123 2.970 -2.164 -9.501 1.00 0.00 O ATOM 1671 CB SER A 123 3.336 -2.289 -6.525 1.00 0.00 C ATOM 1672 OG SER A 123 2.698 -1.906 -5.322 1.00 0.00 O ATOM 0 H SER A 123 1.671 -0.473 -8.124 1.00 0.00 H new ATOM 0 HA SER A 123 4.413 -0.534 -7.078 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.732 -3.040 -7.034 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.295 -2.753 -6.296 1.00 0.00 H new ATOM 0 HG SER A 123 2.037 -2.585 -5.071 1.00 0.00 H new ATOM 1677 N VAL A 124 5.072 -1.355 -9.379 1.00 0.00 N ATOM 1678 CA VAL A 124 5.558 -1.954 -10.615 1.00 0.00 C ATOM 1679 C VAL A 124 7.089 -1.914 -10.617 1.00 0.00 C ATOM 1680 CB VAL A 124 4.839 -1.398 -11.866 1.00 0.00 C ATOM 1681 CG1 VAL A 124 5.714 -0.567 -12.813 1.00 0.00 C ATOM 1682 CG2 VAL A 124 4.215 -2.575 -12.637 1.00 0.00 C ATOM 0 H VAL A 124 5.755 -0.747 -8.927 1.00 0.00 H new ATOM 0 HA VAL A 124 5.292 -3.010 -10.665 1.00 0.00 H new ATOM 0 HB VAL A 124 4.086 -0.702 -11.496 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.114 -0.225 -13.657 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.112 0.295 -12.278 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.538 -1.180 -13.178 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.704 -2.199 -13.523 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.999 -3.270 -12.938 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.500 -3.091 -11.997 1.00 0.00 H new TER 1692 VAL A 124