USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 891 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 70 TYR OH : rot 131:sc= -0.645 USER MOD Set 1.2: A 71 ASN : amide:sc= -7.95! C(o=-8.6!,f=-18!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.5) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 53 ASN : amide:sc= -0.267 K(o=-0.27,f=-1) USER MOD Single : A 55 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.091) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -2.94 F(o=-3.7,f=-2.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.601 F(o=-2.3,f=-0.6) USER MOD Single : A 75 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.061) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -5.61 K(o=-5.6,f=-9.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 136:sc= -3.1 (180deg=-6.81!) USER MOD Single : A 95 MET CE :methyl 166:sc= -6.22! (180deg=-6.69!) USER MOD Single : A 96 HIS : no HE2:sc= -0.575 X(o=-0.58,f=-0.67) USER MOD Single : A 97 TYR OH : rot -1:sc= 1.4 USER MOD Single : A 99 THR OG1 : rot -166:sc= -1.91 USER MOD Single : A 103 ASN : amide:sc= -0.624 K(o=-0.62,f=-5!) USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= -0.017 (180deg=-0.166) USER MOD Single : A 108 LYS NZ :NH3+ 171:sc= -1.34! (180deg=-1.66!) USER MOD Single : A 109 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00658) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.601 USER MOD Single : A 114 LYS NZ :NH3+ -123:sc= -0.108 (180deg=-0.457) USER MOD Single : A 118 GLN : amide:sc= -5.8 K(o=-5.8,f=-18!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.258 F(o=-1.1,f=-0.26) USER MOD Single : A 125 GLN : amide:sc= -3.77! C(o=-3.8!,f=-7.6!) USER MOD Single : A 127 GLN : amide:sc= -6.25! C(o=-6.3!,f=-9!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 6 6.144 8.026 11.328 1.00 0.00 N ATOM 75 CA PRO A 6 5.146 7.509 12.269 1.00 0.00 C ATOM 76 C PRO A 6 4.175 8.589 12.735 1.00 0.00 C ATOM 77 O PRO A 6 3.026 8.301 13.071 1.00 0.00 O ATOM 78 CB PRO A 6 5.991 7.008 13.442 1.00 0.00 C ATOM 79 CG PRO A 6 7.237 7.821 13.386 1.00 0.00 C ATOM 80 CD PRO A 6 7.491 8.090 11.928 1.00 0.00 C ATOM 0 HA PRO A 6 4.520 6.739 11.817 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.472 7.144 14.391 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.208 5.944 13.348 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.120 8.752 13.940 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.073 7.285 13.835 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.953 9.065 11.774 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.160 7.348 11.493 1.00 0.00 H new ATOM 88 N LYS A 7 4.644 9.832 12.753 1.00 0.00 N ATOM 89 CA LYS A 7 3.816 10.955 13.178 1.00 0.00 C ATOM 90 C LYS A 7 4.046 12.169 12.284 1.00 0.00 C ATOM 91 O LYS A 7 5.063 12.853 12.399 1.00 0.00 O ATOM 92 CB LYS A 7 4.116 11.315 14.634 1.00 0.00 C ATOM 93 CG LYS A 7 2.910 11.845 15.390 1.00 0.00 C ATOM 94 CD LYS A 7 2.960 11.461 16.860 1.00 0.00 C ATOM 95 CE LYS A 7 1.858 12.143 17.653 1.00 0.00 C ATOM 96 NZ LYS A 7 1.333 11.271 18.739 1.00 0.00 N1+ ATOM 0 H LYS A 7 5.593 10.087 12.478 1.00 0.00 H new ATOM 0 HA LYS A 7 2.771 10.656 13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.497 10.432 15.147 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.908 12.064 14.659 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.870 12.930 15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.997 11.453 14.941 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.864 10.380 16.958 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.930 11.734 17.275 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.240 13.068 18.084 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.044 12.416 16.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.583 11.773 19.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.945 10.399 18.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.104 11.031 19.394 1.00 0.00 H new ATOM 110 N LYS A 8 3.095 12.431 11.394 1.00 0.00 N ATOM 111 CA LYS A 8 3.193 13.564 10.480 1.00 0.00 C ATOM 112 C LYS A 8 1.908 13.723 9.670 1.00 0.00 C ATOM 113 O LYS A 8 1.083 12.811 9.615 1.00 0.00 O ATOM 114 CB LYS A 8 4.386 13.384 9.539 1.00 0.00 C ATOM 115 CG LYS A 8 5.649 14.083 10.016 1.00 0.00 C ATOM 116 CD LYS A 8 6.461 14.624 8.850 1.00 0.00 C ATOM 117 CE LYS A 8 7.736 15.300 9.326 1.00 0.00 C ATOM 118 NZ LYS A 8 8.192 16.355 8.380 1.00 0.00 N1+ ATOM 0 H LYS A 8 2.247 11.874 11.286 1.00 0.00 H new ATOM 0 HA LYS A 8 3.340 14.467 11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.591 12.319 9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.121 13.765 8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.383 14.901 10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.257 13.385 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.712 13.809 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.859 15.336 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.568 15.741 10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.521 14.553 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.064 16.792 8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.377 15.930 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.454 17.082 8.288 1.00 0.00 H new ATOM 132 N PRO A 9 1.723 14.888 9.027 1.00 0.00 N ATOM 133 CA PRO A 9 0.532 15.162 8.216 1.00 0.00 C ATOM 134 C PRO A 9 0.484 14.309 6.953 1.00 0.00 C ATOM 135 O PRO A 9 1.380 13.503 6.702 1.00 0.00 O ATOM 136 CB PRO A 9 0.674 16.643 7.857 1.00 0.00 C ATOM 137 CG PRO A 9 2.136 16.916 7.943 1.00 0.00 C ATOM 138 CD PRO A 9 2.658 16.028 9.038 1.00 0.00 C ATOM 0 HA PRO A 9 -0.388 14.929 8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.292 16.846 6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.113 17.273 8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.630 16.699 6.996 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.325 17.966 8.168 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.682 15.710 8.844 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.660 16.537 10.002 1.00 0.00 H new ATOM 146 N VAL A 10 -0.567 14.492 6.160 1.00 0.00 N ATOM 147 CA VAL A 10 -0.729 13.738 4.923 1.00 0.00 C ATOM 148 C VAL A 10 -1.165 14.650 3.775 1.00 0.00 C ATOM 149 O VAL A 10 -1.742 15.713 4.001 1.00 0.00 O ATOM 150 CB VAL A 10 -1.753 12.595 5.092 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.460 11.798 6.354 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.176 13.136 5.118 1.00 0.00 C ATOM 0 H VAL A 10 -1.318 15.155 6.352 1.00 0.00 H new ATOM 0 HA VAL A 10 0.242 13.305 4.682 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.661 11.929 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.192 10.997 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.460 11.370 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.518 12.456 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.877 12.310 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.286 13.830 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.385 13.656 4.183 1.00 0.00 H new ATOM 162 N PRO A 11 -0.892 14.241 2.525 1.00 0.00 N ATOM 163 CA PRO A 11 -1.257 15.023 1.341 1.00 0.00 C ATOM 164 C PRO A 11 -2.749 14.950 1.035 1.00 0.00 C ATOM 165 O PRO A 11 -3.538 14.477 1.854 1.00 0.00 O ATOM 166 CB PRO A 11 -0.449 14.361 0.225 1.00 0.00 C ATOM 167 CG PRO A 11 -0.288 12.948 0.666 1.00 0.00 C ATOM 168 CD PRO A 11 -0.206 12.985 2.169 1.00 0.00 C ATOM 0 HA PRO A 11 -1.047 16.085 1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.970 14.421 -0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.517 14.848 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.130 12.339 0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.612 12.506 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.695 12.120 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.828 12.982 2.514 1.00 0.00 H new ATOM 176 N ALA A 12 -3.130 15.419 -0.149 1.00 0.00 N ATOM 177 CA ALA A 12 -4.528 15.406 -0.562 1.00 0.00 C ATOM 178 C ALA A 12 -4.759 14.399 -1.683 1.00 0.00 C ATOM 179 O ALA A 12 -4.110 14.458 -2.728 1.00 0.00 O ATOM 180 CB ALA A 12 -4.960 16.797 -1.003 1.00 0.00 C ATOM 0 H ALA A 12 -2.490 15.813 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.132 15.103 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.006 16.773 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.840 17.495 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.344 17.120 -1.842 1.00 0.00 H new ATOM 186 N ALA A 13 -5.687 13.474 -1.459 1.00 0.00 N ATOM 187 CA ALA A 13 -6.004 12.453 -2.450 1.00 0.00 C ATOM 188 C ALA A 13 -6.839 13.032 -3.587 1.00 0.00 C ATOM 189 O ALA A 13 -7.150 14.223 -3.598 1.00 0.00 O ATOM 190 CB ALA A 13 -6.734 11.291 -1.795 1.00 0.00 C ATOM 0 H ALA A 13 -6.233 13.411 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.068 12.088 -2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.965 10.536 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.102 10.853 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.660 11.650 -1.345 1.00 0.00 H new ATOM 196 N GLU A 14 -7.199 12.181 -4.543 1.00 0.00 N ATOM 197 CA GLU A 14 -7.999 12.609 -5.685 1.00 0.00 C ATOM 198 C GLU A 14 -8.886 11.473 -6.184 1.00 0.00 C ATOM 199 O GLU A 14 -10.109 11.525 -6.054 1.00 0.00 O ATOM 200 CB GLU A 14 -7.091 13.099 -6.815 1.00 0.00 C ATOM 201 CG GLU A 14 -7.639 14.309 -7.554 1.00 0.00 C ATOM 202 CD GLU A 14 -7.369 14.254 -9.044 1.00 0.00 C ATOM 203 OE1 GLU A 14 -6.182 14.291 -9.434 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -8.343 14.174 -9.822 1.00 0.00 O ATOM 0 H GLU A 14 -6.950 11.192 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.639 13.430 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.113 13.348 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.940 12.287 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.714 14.377 -7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.194 15.214 -7.141 1.00 0.00 H new ATOM 211 N GLU A 15 -8.262 10.448 -6.756 1.00 0.00 N ATOM 212 CA GLU A 15 -8.995 9.299 -7.275 1.00 0.00 C ATOM 213 C GLU A 15 -8.038 8.242 -7.816 1.00 0.00 C ATOM 214 O GLU A 15 -6.820 8.371 -7.692 1.00 0.00 O ATOM 215 CB GLU A 15 -9.964 9.740 -8.375 1.00 0.00 C ATOM 216 CG GLU A 15 -11.390 9.937 -7.887 1.00 0.00 C ATOM 217 CD GLU A 15 -12.421 9.469 -8.895 1.00 0.00 C ATOM 218 OE1 GLU A 15 -12.146 9.557 -10.110 1.00 0.00 O1- ATOM 219 OE2 GLU A 15 -13.504 9.015 -8.469 1.00 0.00 O ATOM 0 H GLU A 15 -7.250 10.390 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.564 8.861 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.606 10.673 -8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.961 8.995 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.529 9.394 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.553 10.993 -7.669 1.00 0.00 H new ATOM 226 N ALA A 16 -8.597 7.196 -8.417 1.00 0.00 N ATOM 227 CA ALA A 16 -7.794 6.117 -8.977 1.00 0.00 C ATOM 228 C ALA A 16 -7.803 6.161 -10.503 1.00 0.00 C ATOM 229 O ALA A 16 -8.646 6.823 -11.108 1.00 0.00 O ATOM 230 CB ALA A 16 -8.301 4.770 -8.483 1.00 0.00 C ATOM 0 H ALA A 16 -9.604 7.074 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.766 6.251 -8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.692 3.973 -8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.237 4.734 -7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.338 4.637 -8.790 1.00 0.00 H new ATOM 236 N PRO A 17 -6.860 5.453 -11.149 1.00 0.00 N ATOM 237 CA PRO A 17 -6.764 5.415 -12.611 1.00 0.00 C ATOM 238 C PRO A 17 -7.877 4.585 -13.243 1.00 0.00 C ATOM 239 O PRO A 17 -8.747 4.062 -12.546 1.00 0.00 O ATOM 240 CB PRO A 17 -5.404 4.763 -12.858 1.00 0.00 C ATOM 241 CG PRO A 17 -5.168 3.915 -11.657 1.00 0.00 C ATOM 242 CD PRO A 17 -5.814 4.635 -10.504 1.00 0.00 C ATOM 0 HA PRO A 17 -6.863 6.406 -13.053 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.411 4.165 -13.770 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.621 5.512 -12.974 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.601 2.923 -11.789 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.101 3.776 -11.481 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.239 3.937 -9.783 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.097 5.254 -9.965 1.00 0.00 H new ATOM 499 N GLU A 36 -9.052 -1.792 -6.451 1.00 0.00 N ATOM 500 CA GLU A 36 -8.440 -2.550 -5.366 1.00 0.00 C ATOM 501 C GLU A 36 -8.891 -2.020 -4.007 1.00 0.00 C ATOM 502 O GLU A 36 -8.241 -1.154 -3.423 1.00 0.00 O ATOM 503 CB GLU A 36 -6.915 -2.488 -5.470 1.00 0.00 C ATOM 504 CG GLU A 36 -6.388 -2.767 -6.868 1.00 0.00 C ATOM 505 CD GLU A 36 -6.352 -4.248 -7.192 1.00 0.00 C ATOM 506 OE1 GLU A 36 -6.362 -5.063 -6.246 1.00 0.00 O ATOM 507 OE2 GLU A 36 -6.315 -4.592 -8.392 1.00 0.00 O1- ATOM 0 HA GLU A 36 -8.762 -3.587 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.578 -1.501 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.482 -3.210 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.015 -2.254 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.384 -2.353 -6.963 1.00 0.00 H new ATOM 514 N PRO A 37 -10.018 -2.535 -3.485 1.00 0.00 N ATOM 515 CA PRO A 37 -10.554 -2.109 -2.189 1.00 0.00 C ATOM 516 C PRO A 37 -9.508 -2.168 -1.081 1.00 0.00 C ATOM 517 O PRO A 37 -8.426 -2.727 -1.264 1.00 0.00 O ATOM 518 CB PRO A 37 -11.676 -3.114 -1.919 1.00 0.00 C ATOM 519 CG PRO A 37 -12.098 -3.581 -3.269 1.00 0.00 C ATOM 520 CD PRO A 37 -10.856 -3.573 -4.116 1.00 0.00 C ATOM 0 HA PRO A 37 -10.889 -1.072 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.325 -3.943 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.504 -2.649 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.530 -4.581 -3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.861 -2.925 -3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.362 -4.545 -4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.080 -3.332 -5.155 1.00 0.00 H new ATOM 528 N ARG A 38 -9.837 -1.590 0.069 1.00 0.00 N ATOM 529 CA ARG A 38 -8.926 -1.577 1.207 1.00 0.00 C ATOM 530 C ARG A 38 -9.393 -2.545 2.290 1.00 0.00 C ATOM 531 O ARG A 38 -10.364 -3.279 2.103 1.00 0.00 O ATOM 532 CB ARG A 38 -8.816 -0.164 1.784 1.00 0.00 C ATOM 533 CG ARG A 38 -10.126 0.371 2.338 1.00 0.00 C ATOM 534 CD ARG A 38 -10.218 0.171 3.842 1.00 0.00 C ATOM 535 NE ARG A 38 -11.414 0.793 4.405 1.00 0.00 N ATOM 536 CZ ARG A 38 -12.635 0.272 4.310 1.00 0.00 C ATOM 537 NH1 ARG A 38 -12.826 -0.878 3.675 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -13.668 0.903 4.851 1.00 0.00 N ATOM 0 H ARG A 38 -10.729 -1.124 0.238 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.945 -1.897 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.068 -0.162 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.458 0.510 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.214 1.432 2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.961 -0.133 1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.225 -0.896 4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.332 0.591 4.318 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.307 1.678 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.035 -1.367 3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.764 -1.272 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.527 1.787 5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.604 0.504 4.779 1.00 0.00 H new ATOM 552 N GLU A 39 -8.696 -2.541 3.421 1.00 0.00 N ATOM 553 CA GLU A 39 -9.039 -3.418 4.534 1.00 0.00 C ATOM 554 C GLU A 39 -9.147 -2.630 5.835 1.00 0.00 C ATOM 555 O GLU A 39 -8.874 -1.430 5.870 1.00 0.00 O ATOM 556 CB GLU A 39 -7.992 -4.524 4.680 1.00 0.00 C ATOM 557 CG GLU A 39 -8.547 -5.815 5.261 1.00 0.00 C ATOM 558 CD GLU A 39 -8.045 -6.087 6.665 1.00 0.00 C ATOM 559 OE1 GLU A 39 -6.814 -6.047 6.873 1.00 0.00 O1- ATOM 560 OE2 GLU A 39 -8.882 -6.341 7.557 1.00 0.00 O ATOM 0 H GLU A 39 -7.890 -1.940 3.591 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.008 -3.870 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.557 -4.733 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.184 -4.166 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.636 -5.765 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.272 -6.648 4.614 1.00 0.00 H new ATOM 567 N HIS A 40 -9.546 -3.312 6.903 1.00 0.00 N ATOM 568 CA HIS A 40 -9.690 -2.675 8.207 1.00 0.00 C ATOM 569 C HIS A 40 -8.550 -3.079 9.140 1.00 0.00 C ATOM 570 O HIS A 40 -8.668 -4.042 9.897 1.00 0.00 O ATOM 571 CB HIS A 40 -11.034 -3.049 8.835 1.00 0.00 C ATOM 572 CG HIS A 40 -11.271 -4.526 8.905 1.00 0.00 C ATOM 573 ND1 HIS A 40 -11.753 -5.262 7.843 1.00 0.00 N ATOM 574 CD2 HIS A 40 -11.090 -5.405 9.919 1.00 0.00 C ATOM 575 CE1 HIS A 40 -11.859 -6.530 8.201 1.00 0.00 C ATOM 576 NE2 HIS A 40 -11.462 -6.643 9.455 1.00 0.00 N ATOM 0 H HIS A 40 -9.775 -4.306 6.891 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.652 -1.595 8.062 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.084 -2.633 9.841 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.836 -2.587 8.259 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.722 -5.175 10.908 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.211 -7.336 7.574 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.436 -7.510 9.992 1.00 0.00 H new ATOM 585 N PRO A 41 -7.426 -2.343 9.096 1.00 0.00 N ATOM 586 CA PRO A 41 -6.262 -2.629 9.941 1.00 0.00 C ATOM 587 C PRO A 41 -6.527 -2.328 11.412 1.00 0.00 C ATOM 588 O PRO A 41 -7.494 -1.647 11.753 1.00 0.00 O ATOM 589 CB PRO A 41 -5.182 -1.694 9.390 1.00 0.00 C ATOM 590 CG PRO A 41 -5.936 -0.573 8.764 1.00 0.00 C ATOM 591 CD PRO A 41 -7.202 -1.176 8.222 1.00 0.00 C ATOM 0 HA PRO A 41 -5.987 -3.683 9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.526 -1.336 10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.552 -2.203 8.661 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.156 0.205 9.495 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.354 -0.108 7.969 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.034 -0.473 8.269 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.092 -1.471 7.178 1.00 0.00 H new ATOM 599 N ILE A 42 -5.660 -2.839 12.281 1.00 0.00 N ATOM 600 CA ILE A 42 -5.800 -2.625 13.716 1.00 0.00 C ATOM 601 C ILE A 42 -4.639 -1.800 14.265 1.00 0.00 C ATOM 602 O ILE A 42 -3.570 -1.735 13.657 1.00 0.00 O ATOM 603 CB ILE A 42 -5.878 -3.964 14.479 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.155 -3.718 15.963 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.592 -4.756 14.298 1.00 0.00 C ATOM 606 CD1 ILE A 42 -6.461 -4.982 16.738 1.00 0.00 C ATOM 0 H ILE A 42 -4.853 -3.404 12.016 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.731 -2.078 13.866 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.701 -4.549 14.068 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.290 -3.228 16.410 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.995 -3.030 16.058 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.665 -5.697 14.843 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.437 -4.961 13.239 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.752 -4.178 14.683 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.647 -4.732 17.783 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.344 -5.462 16.317 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.612 -5.663 16.673 1.00 0.00 H new ATOM 618 N MET A 43 -4.857 -1.173 15.416 1.00 0.00 N ATOM 619 CA MET A 43 -3.829 -0.353 16.047 1.00 0.00 C ATOM 620 C MET A 43 -2.574 -1.173 16.330 1.00 0.00 C ATOM 621 O MET A 43 -2.606 -2.403 16.309 1.00 0.00 O ATOM 622 CB MET A 43 -4.359 0.254 17.347 1.00 0.00 C ATOM 623 CG MET A 43 -4.935 -0.773 18.307 1.00 0.00 C ATOM 624 SD MET A 43 -6.385 -0.164 19.189 1.00 0.00 S ATOM 625 CE MET A 43 -7.474 -1.581 19.069 1.00 0.00 C ATOM 0 H MET A 43 -5.736 -1.217 15.931 1.00 0.00 H new ATOM 0 HA MET A 43 -3.568 0.450 15.358 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.551 0.790 17.844 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.129 0.988 17.108 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.203 -1.672 17.753 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.170 -1.059 19.028 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.416 -1.359 19.570 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.665 -1.805 18.020 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.004 -2.442 19.545 1.00 0.00 H new ATOM 635 N GLY A 44 -1.469 -0.482 16.594 1.00 0.00 N ATOM 636 CA GLY A 44 -0.220 -1.163 16.877 1.00 0.00 C ATOM 637 C GLY A 44 0.992 -0.335 16.496 1.00 0.00 C ATOM 638 O GLY A 44 0.983 0.357 15.477 1.00 0.00 O ATOM 0 H GLY A 44 -1.417 0.536 16.617 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.173 -1.402 17.939 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.195 -2.109 16.336 1.00 0.00 H new ATOM 642 N GLY A 45 2.036 -0.406 17.314 1.00 0.00 N ATOM 643 CA GLY A 45 3.246 0.348 17.040 1.00 0.00 C ATOM 644 C GLY A 45 3.913 -0.077 15.746 1.00 0.00 C ATOM 645 O GLY A 45 3.322 -0.799 14.943 1.00 0.00 O ATOM 0 H GLY A 45 2.067 -0.972 18.162 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.005 1.410 16.989 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.946 0.219 17.866 1.00 0.00 H new ATOM 649 N ILE A 46 5.147 0.372 15.544 1.00 0.00 N ATOM 650 CA ILE A 46 5.895 0.034 14.340 1.00 0.00 C ATOM 651 C ILE A 46 6.441 -1.389 14.413 1.00 0.00 C ATOM 652 O ILE A 46 7.654 -1.604 14.406 1.00 0.00 O ATOM 653 CB ILE A 46 7.064 1.013 14.111 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.576 2.459 14.222 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.704 0.767 12.753 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.576 2.843 13.154 1.00 0.00 C ATOM 0 H ILE A 46 5.650 0.971 16.199 1.00 0.00 H new ATOM 0 HA ILE A 46 5.200 0.110 13.504 1.00 0.00 H new ATOM 0 HB ILE A 46 7.817 0.843 14.881 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.123 2.607 15.202 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.434 3.129 14.163 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.527 1.466 12.607 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.083 -0.254 12.709 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.961 0.912 11.969 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.274 3.881 13.295 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.032 2.728 12.171 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.701 2.198 13.226 1.00 0.00 H new ATOM 668 N TYR A 47 5.536 -2.360 14.484 1.00 0.00 N ATOM 669 CA TYR A 47 5.925 -3.764 14.558 1.00 0.00 C ATOM 670 C TYR A 47 4.697 -4.668 14.570 1.00 0.00 C ATOM 671 O TYR A 47 4.598 -5.609 13.782 1.00 0.00 O ATOM 672 CB TYR A 47 6.770 -4.016 15.809 1.00 0.00 C ATOM 673 CG TYR A 47 7.745 -5.162 15.661 1.00 0.00 C ATOM 674 CD1 TYR A 47 9.011 -4.957 15.128 1.00 0.00 C ATOM 675 CD2 TYR A 47 7.399 -6.449 16.054 1.00 0.00 C ATOM 676 CE1 TYR A 47 9.905 -6.002 14.990 1.00 0.00 C ATOM 677 CE2 TYR A 47 8.287 -7.499 15.920 1.00 0.00 C ATOM 678 CZ TYR A 47 9.539 -7.270 15.388 1.00 0.00 C ATOM 679 OH TYR A 47 10.426 -8.313 15.253 1.00 0.00 O ATOM 0 H TYR A 47 4.529 -2.201 14.492 1.00 0.00 H new ATOM 0 HA TYR A 47 6.518 -3.998 13.674 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.323 -3.109 16.052 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.107 -4.220 16.650 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.302 -3.965 14.816 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.420 -6.632 16.471 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.885 -5.826 14.572 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.002 -8.494 16.230 1.00 0.00 H new ATOM 0 HH TYR A 47 10.013 -9.139 15.581 1.00 0.00 H new ATOM 689 N ASP A 48 3.763 -4.377 15.470 1.00 0.00 N ATOM 690 CA ASP A 48 2.541 -5.164 15.585 1.00 0.00 C ATOM 691 C ASP A 48 1.734 -5.110 14.292 1.00 0.00 C ATOM 692 O ASP A 48 1.192 -4.065 13.930 1.00 0.00 O ATOM 693 CB ASP A 48 1.690 -4.656 16.750 1.00 0.00 C ATOM 694 CG ASP A 48 2.498 -4.476 18.021 1.00 0.00 C ATOM 695 OD1 ASP A 48 2.899 -5.496 18.619 1.00 0.00 O ATOM 696 OD2 ASP A 48 2.730 -3.314 18.416 1.00 0.00 O1- ATOM 0 H ASP A 48 3.829 -3.602 16.130 1.00 0.00 H new ATOM 0 HA ASP A 48 2.823 -6.200 15.773 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.233 -3.705 16.475 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.877 -5.358 16.936 1.00 0.00 H new ATOM 701 N ALA A 49 1.659 -6.241 13.598 1.00 0.00 N ATOM 702 CA ALA A 49 0.918 -6.322 12.346 1.00 0.00 C ATOM 703 C ALA A 49 0.910 -7.749 11.803 1.00 0.00 C ATOM 704 O ALA A 49 1.532 -8.038 10.781 1.00 0.00 O ATOM 705 CB ALA A 49 1.510 -5.368 11.319 1.00 0.00 C ATOM 0 H ALA A 49 2.103 -7.114 13.882 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.113 -6.031 12.544 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.946 -5.439 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.457 -4.347 11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.551 -5.633 11.134 1.00 0.00 H new ATOM 711 N PRO A 50 0.199 -8.665 12.484 1.00 0.00 N ATOM 712 CA PRO A 50 0.111 -10.067 12.064 1.00 0.00 C ATOM 713 C PRO A 50 -0.604 -10.225 10.726 1.00 0.00 C ATOM 714 O PRO A 50 -0.383 -11.197 10.004 1.00 0.00 O ATOM 715 CB PRO A 50 -0.696 -10.731 13.184 1.00 0.00 C ATOM 716 CG PRO A 50 -1.452 -9.619 13.824 1.00 0.00 C ATOM 717 CD PRO A 50 -0.574 -8.405 13.711 1.00 0.00 C ATOM 0 HA PRO A 50 1.097 -10.509 11.916 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.370 -11.490 12.788 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.042 -11.228 13.901 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.407 -9.458 13.324 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.672 -9.846 14.867 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.160 -7.489 13.632 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.074 -8.294 14.580 1.00 0.00 H new ATOM 725 N LEU A 51 -1.461 -9.263 10.401 1.00 0.00 N ATOM 726 CA LEU A 51 -2.208 -9.295 9.149 1.00 0.00 C ATOM 727 C LEU A 51 -3.070 -10.551 9.061 1.00 0.00 C ATOM 728 O LEU A 51 -2.698 -11.528 8.412 1.00 0.00 O ATOM 729 CB LEU A 51 -1.250 -9.231 7.957 1.00 0.00 C ATOM 730 CG LEU A 51 -1.742 -8.393 6.774 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.047 -7.039 6.750 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.515 -9.135 5.464 1.00 0.00 C ATOM 0 H LEU A 51 -1.656 -8.451 10.987 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.865 -8.425 9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.297 -8.826 8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.059 -10.246 7.609 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.812 -8.225 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.410 -6.459 5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.261 -6.504 7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.029 -7.184 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.871 -8.525 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.451 -9.334 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.061 -10.078 5.481 1.00 0.00 H new ATOM 744 N ASN A 52 -4.224 -10.517 9.720 1.00 0.00 N ATOM 745 CA ASN A 52 -5.140 -11.652 9.717 1.00 0.00 C ATOM 746 C ASN A 52 -5.579 -11.993 8.297 1.00 0.00 C ATOM 747 O ASN A 52 -5.746 -13.163 7.952 1.00 0.00 O ATOM 748 CB ASN A 52 -6.364 -11.350 10.583 1.00 0.00 C ATOM 749 CG ASN A 52 -6.925 -12.593 11.245 1.00 0.00 C ATOM 750 OD1 ASN A 52 -6.945 -13.671 10.651 1.00 0.00 O ATOM 751 ND2 ASN A 52 -7.386 -12.448 12.482 1.00 0.00 N ATOM 0 H ASN A 52 -4.547 -9.716 10.263 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.614 -12.512 10.132 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.093 -10.624 11.350 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.137 -10.890 9.967 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.776 -13.249 12.978 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.350 -11.535 12.936 1.00 0.00 H new ATOM 758 N ASN A 53 -5.765 -10.964 7.477 1.00 0.00 N ATOM 759 CA ASN A 53 -6.185 -11.154 6.094 1.00 0.00 C ATOM 760 C ASN A 53 -4.976 -11.267 5.168 1.00 0.00 C ATOM 761 O ASN A 53 -4.889 -10.573 4.154 1.00 0.00 O ATOM 762 CB ASN A 53 -7.081 -10.000 5.650 1.00 0.00 C ATOM 763 CG ASN A 53 -8.495 -10.126 6.183 1.00 0.00 C ATOM 764 OD1 ASN A 53 -9.020 -9.204 6.806 1.00 0.00 O ATOM 765 ND2 ASN A 53 -9.118 -11.273 5.939 1.00 0.00 N ATOM 0 H ASN A 53 -5.631 -9.989 7.747 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.750 -12.084 6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.650 -9.058 5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.108 -9.963 4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.071 -11.417 6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.643 -12.010 5.418 1.00 0.00 H new ATOM 772 N GLU A 54 -4.046 -12.146 5.525 1.00 0.00 N ATOM 773 CA GLU A 54 -2.841 -12.353 4.730 1.00 0.00 C ATOM 774 C GLU A 54 -3.019 -13.507 3.744 1.00 0.00 C ATOM 775 O GLU A 54 -2.041 -14.040 3.220 1.00 0.00 O ATOM 776 CB GLU A 54 -1.645 -12.630 5.643 1.00 0.00 C ATOM 777 CG GLU A 54 -1.775 -13.916 6.442 1.00 0.00 C ATOM 778 CD GLU A 54 -0.456 -14.651 6.583 1.00 0.00 C ATOM 779 OE1 GLU A 54 0.063 -15.141 5.558 1.00 0.00 O ATOM 780 OE2 GLU A 54 0.058 -14.735 7.718 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.104 -12.727 6.361 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.656 -11.442 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.740 -12.678 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.523 -11.794 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.166 -13.686 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.501 -14.569 5.957 1.00 0.00 H new ATOM 787 N ASN A 55 -4.269 -13.890 3.495 1.00 0.00 N ATOM 788 CA ASN A 55 -4.564 -14.982 2.574 1.00 0.00 C ATOM 789 C ASN A 55 -4.003 -14.691 1.185 1.00 0.00 C ATOM 790 O ASN A 55 -3.631 -15.608 0.452 1.00 0.00 O ATOM 791 CB ASN A 55 -6.074 -15.211 2.488 1.00 0.00 C ATOM 792 CG ASN A 55 -6.728 -15.275 3.854 1.00 0.00 C ATOM 793 OD1 ASN A 55 -6.698 -16.308 4.522 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.325 -14.166 4.277 1.00 0.00 N ATOM 0 H ASN A 55 -5.092 -13.461 3.918 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.087 -15.884 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.528 -14.407 1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.268 -16.140 1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.782 -14.149 5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.326 -13.332 3.690 1.00 0.00 H new ATOM 801 N GLY A 56 -3.942 -13.412 0.831 1.00 0.00 N ATOM 802 CA GLY A 56 -3.422 -13.028 -0.469 1.00 0.00 C ATOM 803 C GLY A 56 -4.295 -12.004 -1.168 1.00 0.00 C ATOM 804 O GLY A 56 -3.791 -11.053 -1.765 1.00 0.00 O ATOM 0 H GLY A 56 -4.243 -12.635 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.418 -12.622 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.334 -13.914 -1.097 1.00 0.00 H new ATOM 808 N PHE A 57 -5.607 -12.200 -1.097 1.00 0.00 N ATOM 809 CA PHE A 57 -6.553 -11.288 -1.731 1.00 0.00 C ATOM 810 C PHE A 57 -6.473 -9.897 -1.110 1.00 0.00 C ATOM 811 O PHE A 57 -6.280 -8.904 -1.811 1.00 0.00 O ATOM 812 CB PHE A 57 -7.977 -11.833 -1.608 1.00 0.00 C ATOM 813 CG PHE A 57 -8.998 -11.012 -2.344 1.00 0.00 C ATOM 814 CD1 PHE A 57 -9.070 -11.049 -3.727 1.00 0.00 C ATOM 815 CD2 PHE A 57 -9.886 -10.204 -1.651 1.00 0.00 C ATOM 816 CE1 PHE A 57 -10.008 -10.295 -4.406 1.00 0.00 C ATOM 817 CE2 PHE A 57 -10.827 -9.448 -2.325 1.00 0.00 C ATOM 818 CZ PHE A 57 -10.888 -9.494 -3.704 1.00 0.00 C ATOM 0 H PHE A 57 -6.040 -12.983 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.290 -11.208 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.001 -12.854 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.250 -11.879 -0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.385 -11.674 -4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.842 -10.165 -0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.053 -10.332 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.513 -8.822 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.623 -8.905 -4.233 1.00 0.00 H new ATOM 828 N ASP A 58 -6.627 -9.832 0.208 1.00 0.00 N ATOM 829 CA ASP A 58 -6.576 -8.561 0.923 1.00 0.00 C ATOM 830 C ASP A 58 -5.234 -7.866 0.712 1.00 0.00 C ATOM 831 O ASP A 58 -5.184 -6.702 0.315 1.00 0.00 O ATOM 832 CB ASP A 58 -6.819 -8.783 2.416 1.00 0.00 C ATOM 833 CG ASP A 58 -8.285 -8.675 2.785 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.848 -7.566 2.667 1.00 0.00 O ATOM 835 OD2 ASP A 58 -8.872 -9.700 3.192 1.00 0.00 O1- ATOM 0 H ASP A 58 -6.788 -10.644 0.803 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.361 -7.919 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.447 -9.768 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.248 -8.051 2.987 1.00 0.00 H new ATOM 840 N LYS A 59 -4.149 -8.586 0.983 1.00 0.00 N ATOM 841 CA LYS A 59 -2.807 -8.034 0.824 1.00 0.00 C ATOM 842 C LYS A 59 -2.590 -7.526 -0.599 1.00 0.00 C ATOM 843 O LYS A 59 -1.987 -6.473 -0.807 1.00 0.00 O ATOM 844 CB LYS A 59 -1.754 -9.091 1.174 1.00 0.00 C ATOM 845 CG LYS A 59 -1.596 -10.174 0.119 1.00 0.00 C ATOM 846 CD LYS A 59 -0.473 -11.137 0.471 1.00 0.00 C ATOM 847 CE LYS A 59 0.428 -11.407 -0.724 1.00 0.00 C ATOM 848 NZ LYS A 59 0.880 -12.825 -0.771 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.172 -9.551 1.313 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.704 -7.191 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.793 -8.598 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.022 -9.557 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.531 -10.725 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.392 -9.714 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.119 -10.724 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.896 -12.076 0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.106 -11.166 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.297 -10.751 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.492 -12.967 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.412 -13.049 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.052 -13.451 -0.840 1.00 0.00 H new ATOM 862 N GLU A 60 -3.086 -8.281 -1.573 1.00 0.00 N ATOM 863 CA GLU A 60 -2.947 -7.908 -2.976 1.00 0.00 C ATOM 864 C GLU A 60 -3.709 -6.620 -3.274 1.00 0.00 C ATOM 865 O GLU A 60 -3.193 -5.722 -3.940 1.00 0.00 O ATOM 866 CB GLU A 60 -3.453 -9.034 -3.878 1.00 0.00 C ATOM 867 CG GLU A 60 -2.384 -10.056 -4.232 1.00 0.00 C ATOM 868 CD GLU A 60 -2.448 -10.487 -5.685 1.00 0.00 C ATOM 869 OE1 GLU A 60 -3.528 -10.353 -6.297 1.00 0.00 O1- ATOM 870 OE2 GLU A 60 -1.417 -10.958 -6.210 1.00 0.00 O ATOM 0 H GLU A 60 -3.588 -9.155 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.889 -7.739 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.280 -9.542 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.850 -8.602 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.400 -9.634 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.497 -10.931 -3.592 1.00 0.00 H new ATOM 877 N ASP A 61 -4.938 -6.537 -2.777 1.00 0.00 N ATOM 878 CA ASP A 61 -5.771 -5.358 -2.990 1.00 0.00 C ATOM 879 C ASP A 61 -5.099 -4.110 -2.426 1.00 0.00 C ATOM 880 O ASP A 61 -5.042 -3.073 -3.085 1.00 0.00 O ATOM 881 CB ASP A 61 -7.142 -5.552 -2.339 1.00 0.00 C ATOM 882 CG ASP A 61 -7.941 -6.661 -2.995 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.329 -7.515 -3.670 1.00 0.00 O ATOM 884 OD2 ASP A 61 -9.180 -6.676 -2.833 1.00 0.00 O1- ATOM 0 H ASP A 61 -5.380 -7.271 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.903 -5.225 -4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.010 -5.780 -1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.704 -4.620 -2.397 1.00 0.00 H new ATOM 889 N LEU A 62 -4.591 -4.220 -1.203 1.00 0.00 N ATOM 890 CA LEU A 62 -3.922 -3.101 -0.550 1.00 0.00 C ATOM 891 C LEU A 62 -2.647 -2.721 -1.295 1.00 0.00 C ATOM 892 O LEU A 62 -2.450 -1.561 -1.658 1.00 0.00 O ATOM 893 CB LEU A 62 -3.595 -3.455 0.903 1.00 0.00 C ATOM 894 CG LEU A 62 -2.769 -2.412 1.662 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.266 -1.004 1.365 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.817 -2.688 3.156 1.00 0.00 C ATOM 0 H LEU A 62 -4.630 -5.072 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.597 -2.245 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.530 -3.614 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.055 -4.402 0.916 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.735 -2.484 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.663 -0.282 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.182 -0.807 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.309 -0.914 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.226 -1.939 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.850 -2.644 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.410 -3.679 3.356 1.00 0.00 H new ATOM 908 N ALA A 63 -1.783 -3.706 -1.522 1.00 0.00 N ATOM 909 CA ALA A 63 -0.525 -3.477 -2.225 1.00 0.00 C ATOM 910 C ALA A 63 -0.761 -2.782 -3.563 1.00 0.00 C ATOM 911 O ALA A 63 -0.179 -1.733 -3.840 1.00 0.00 O ATOM 912 CB ALA A 63 0.210 -4.792 -2.435 1.00 0.00 C ATOM 0 H ALA A 63 -1.931 -4.672 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 63 0.092 -2.823 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.147 -4.605 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.421 -5.249 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.410 -5.465 -3.027 1.00 0.00 H new ATOM 918 N ARG A 64 -1.621 -3.372 -4.388 1.00 0.00 N ATOM 919 CA ARG A 64 -1.935 -2.806 -5.694 1.00 0.00 C ATOM 920 C ARG A 64 -2.598 -1.441 -5.544 1.00 0.00 C ATOM 921 O ARG A 64 -2.352 -0.529 -6.334 1.00 0.00 O ATOM 922 CB ARG A 64 -2.853 -3.749 -6.475 1.00 0.00 C ATOM 923 CG ARG A 64 -2.673 -3.664 -7.981 1.00 0.00 C ATOM 924 CD ARG A 64 -3.024 -2.281 -8.507 1.00 0.00 C ATOM 925 NE ARG A 64 -3.705 -2.343 -9.798 1.00 0.00 N ATOM 926 CZ ARG A 64 -3.109 -2.695 -10.935 1.00 0.00 C ATOM 927 NH1 ARG A 64 -1.821 -3.016 -10.946 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -3.802 -2.726 -12.065 1.00 0.00 N ATOM 0 H ARG A 64 -2.112 -4.240 -4.175 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.003 -2.682 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.667 -4.773 -6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.890 -3.520 -6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.641 -3.901 -8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.303 -4.410 -8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.661 -1.770 -7.785 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.114 -1.689 -8.605 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.696 -2.102 -9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.282 -2.994 -10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.370 -3.285 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.792 -2.480 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.345 -2.996 -12.936 1.00 0.00 H new ATOM 942 N PHE A 65 -3.437 -1.308 -4.523 1.00 0.00 N ATOM 943 CA PHE A 65 -4.135 -0.055 -4.262 1.00 0.00 C ATOM 944 C PHE A 65 -3.142 1.075 -4.008 1.00 0.00 C ATOM 945 O PHE A 65 -3.183 2.110 -4.671 1.00 0.00 O ATOM 946 CB PHE A 65 -5.072 -0.211 -3.062 1.00 0.00 C ATOM 947 CG PHE A 65 -5.809 1.049 -2.704 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.789 1.556 -3.542 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.520 1.724 -1.529 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.468 2.715 -3.214 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.195 2.883 -1.196 1.00 0.00 C ATOM 952 CZ PHE A 65 -7.170 3.379 -2.040 1.00 0.00 C ATOM 0 H PHE A 65 -3.651 -2.054 -3.861 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.726 0.197 -5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.796 -0.997 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.492 -0.540 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.025 1.040 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.759 1.340 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.230 3.101 -3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.961 3.400 -0.277 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.699 4.285 -1.782 1.00 0.00 H new ATOM 962 N ALA A 66 -2.249 0.867 -3.045 1.00 0.00 N ATOM 963 CA ALA A 66 -1.244 1.868 -2.707 1.00 0.00 C ATOM 964 C ALA A 66 -0.355 2.176 -3.906 1.00 0.00 C ATOM 965 O ALA A 66 -0.202 3.334 -4.300 1.00 0.00 O ATOM 966 CB ALA A 66 -0.402 1.393 -1.531 1.00 0.00 C ATOM 0 H ALA A 66 -2.201 0.015 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.759 2.786 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.344 2.150 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.045 1.228 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.098 0.461 -1.795 1.00 0.00 H new ATOM 972 N VAL A 67 0.227 1.131 -4.487 1.00 0.00 N ATOM 973 CA VAL A 67 1.101 1.285 -5.644 1.00 0.00 C ATOM 974 C VAL A 67 0.410 2.079 -6.749 1.00 0.00 C ATOM 975 O VAL A 67 0.930 3.092 -7.218 1.00 0.00 O ATOM 976 CB VAL A 67 1.538 -0.083 -6.205 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.533 0.095 -7.342 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.128 -0.950 -5.102 1.00 0.00 C ATOM 0 H VAL A 67 0.108 0.167 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 67 1.984 1.828 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 67 0.657 -0.588 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.828 -0.882 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.071 0.672 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.414 0.623 -6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.431 -1.911 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.997 -0.451 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.380 -1.110 -4.325 1.00 0.00 H new ATOM 988 N ARG A 68 -0.764 1.613 -7.157 1.00 0.00 N ATOM 989 CA ARG A 68 -1.529 2.278 -8.203 1.00 0.00 C ATOM 990 C ARG A 68 -1.959 3.673 -7.758 1.00 0.00 C ATOM 991 O ARG A 68 -2.111 4.577 -8.579 1.00 0.00 O ATOM 992 CB ARG A 68 -2.756 1.441 -8.574 1.00 0.00 C ATOM 993 CG ARG A 68 -3.675 2.113 -9.582 1.00 0.00 C ATOM 994 CD ARG A 68 -4.725 1.149 -10.109 1.00 0.00 C ATOM 995 NE ARG A 68 -4.335 0.560 -11.388 1.00 0.00 N ATOM 996 CZ ARG A 68 -5.188 -0.024 -12.226 1.00 0.00 C ATOM 997 NH1 ARG A 68 -6.479 -0.100 -11.925 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -4.750 -0.533 -13.370 1.00 0.00 N ATOM 0 H ARG A 68 -1.207 0.776 -6.778 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.891 2.380 -9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.423 0.486 -8.980 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.323 1.223 -7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.166 2.967 -9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.085 2.499 -10.413 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.888 0.356 -9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.673 1.674 -10.226 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.351 0.599 -11.654 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.822 0.291 -11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.128 -0.549 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.760 -0.477 -13.607 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.404 -0.981 -14.012 1.00 0.00 H new ATOM 1012 N GLU A 69 -2.154 3.841 -6.453 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.566 5.126 -5.899 1.00 0.00 C ATOM 1014 C GLU A 69 -1.489 6.183 -6.121 1.00 0.00 C ATOM 1015 O GLU A 69 -1.787 7.319 -6.490 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.864 4.990 -4.405 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.315 6.288 -3.754 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.576 6.848 -4.382 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -5.482 6.052 -4.707 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -4.658 8.083 -4.550 1.00 0.00 O ATOM 0 H GLU A 69 -2.033 3.103 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.473 5.442 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.637 4.235 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.970 4.629 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.488 6.116 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.516 7.026 -3.832 1.00 0.00 H new ATOM 1027 N TYR A 70 -0.237 5.802 -5.895 1.00 0.00 N ATOM 1028 CA TYR A 70 0.882 6.721 -6.073 1.00 0.00 C ATOM 1029 C TYR A 70 1.412 6.672 -7.507 1.00 0.00 C ATOM 1030 O TYR A 70 2.106 7.586 -7.952 1.00 0.00 O ATOM 1031 CB TYR A 70 2.000 6.390 -5.075 1.00 0.00 C ATOM 1032 CG TYR A 70 3.065 5.458 -5.617 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.129 5.949 -6.363 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.002 4.091 -5.385 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.101 5.103 -6.861 1.00 0.00 C ATOM 1036 CE2 TYR A 70 3.970 3.238 -5.880 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.017 3.748 -6.617 1.00 0.00 C ATOM 1038 OH TYR A 70 5.983 2.902 -7.112 1.00 0.00 O ATOM 0 H TYR A 70 0.029 4.866 -5.589 1.00 0.00 H new ATOM 0 HA TYR A 70 0.527 7.734 -5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.474 7.319 -4.758 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.557 5.939 -4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.197 7.009 -6.557 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.183 3.687 -4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.923 5.501 -7.438 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.906 2.177 -5.690 1.00 0.00 H new ATOM 0 HH TYR A 70 6.302 2.314 -6.395 1.00 0.00 H new ATOM 1048 N ASN A 71 1.090 5.597 -8.219 1.00 0.00 N ATOM 1049 CA ASN A 71 1.542 5.427 -9.595 1.00 0.00 C ATOM 1050 C ASN A 71 0.613 6.130 -10.584 1.00 0.00 C ATOM 1051 O ASN A 71 1.031 6.500 -11.681 1.00 0.00 O ATOM 1052 CB ASN A 71 1.636 3.939 -9.939 1.00 0.00 C ATOM 1053 CG ASN A 71 2.938 3.320 -9.471 1.00 0.00 C ATOM 1054 OD1 ASN A 71 2.960 2.534 -8.524 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.034 3.674 -10.133 1.00 0.00 N ATOM 0 H ASN A 71 0.518 4.830 -7.866 1.00 0.00 H new ATOM 0 HA ASN A 71 2.529 5.883 -9.677 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.800 3.410 -9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.543 3.811 -11.017 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.940 3.291 -9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.970 4.329 -10.912 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.646 6.306 -10.197 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.623 6.958 -11.063 1.00 0.00 C ATOM 1064 C ASN A 72 -1.525 8.480 -10.961 1.00 0.00 C ATOM 1065 O ASN A 72 -1.721 9.191 -11.947 1.00 0.00 O ATOM 1066 CB ASN A 72 -3.042 6.488 -10.716 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.663 7.264 -9.567 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.469 6.775 -8.349 1.00 0.00 O flip ATOM 1069 ND2 ASN A 72 -4.309 8.292 -9.775 1.00 0.00 N flip ATOM 0 H ASN A 72 -1.013 6.008 -9.293 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.401 6.676 -12.092 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.676 6.586 -11.597 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.015 5.429 -10.459 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.433 8.632 -10.729 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.720 8.803 -8.994 1.00 0.00 H new ATOM 1076 N LYS A 73 -1.230 8.971 -9.762 1.00 0.00 N ATOM 1077 CA LYS A 73 -1.115 10.409 -9.529 1.00 0.00 C ATOM 1078 C LYS A 73 -0.183 11.066 -10.544 1.00 0.00 C ATOM 1079 O LYS A 73 -0.483 12.139 -11.070 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.618 10.688 -8.108 1.00 0.00 C ATOM 1081 CG LYS A 73 0.465 9.732 -7.638 1.00 0.00 C ATOM 1082 CD LYS A 73 1.102 10.205 -6.342 1.00 0.00 C ATOM 1083 CE LYS A 73 2.595 9.922 -6.318 1.00 0.00 C ATOM 1084 NZ LYS A 73 3.338 10.925 -5.507 1.00 0.00 N1+ ATOM 0 H LYS A 73 -1.066 8.396 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.109 10.840 -9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.235 11.707 -8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.462 10.632 -7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.038 8.740 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.230 9.641 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.932 11.275 -6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.623 9.709 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.769 8.926 -5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.981 9.922 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.352 10.696 -5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.193 11.873 -5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.988 10.908 -4.528 1.00 0.00 H new ATOM 1098 N ASN A 74 0.947 10.420 -10.819 1.00 0.00 N ATOM 1099 CA ASN A 74 1.915 10.951 -11.773 1.00 0.00 C ATOM 1100 C ASN A 74 3.084 9.989 -11.972 1.00 0.00 C ATOM 1101 O ASN A 74 3.597 9.842 -13.081 1.00 0.00 O ATOM 1102 CB ASN A 74 2.431 12.318 -11.305 1.00 0.00 C ATOM 1103 CG ASN A 74 3.431 12.211 -10.167 1.00 0.00 C ATOM 1104 OD1 ASN A 74 2.991 11.664 -9.040 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 4.586 12.616 -10.301 1.00 0.00 N flip ATOM 0 H ASN A 74 1.214 9.531 -10.396 1.00 0.00 H new ATOM 0 HA ASN A 74 1.408 11.070 -12.731 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.897 12.832 -12.145 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.587 12.930 -10.985 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.882 13.030 -11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.247 12.538 -9.528 1.00 0.00 H new ATOM 1112 N ASN A 75 3.503 9.341 -10.888 1.00 0.00 N ATOM 1113 CA ASN A 75 4.618 8.397 -10.938 1.00 0.00 C ATOM 1114 C ASN A 75 4.479 7.434 -12.116 1.00 0.00 C ATOM 1115 O ASN A 75 3.436 7.380 -12.768 1.00 0.00 O ATOM 1116 CB ASN A 75 4.704 7.610 -9.628 1.00 0.00 C ATOM 1117 CG ASN A 75 6.117 7.547 -9.084 1.00 0.00 C ATOM 1118 OD1 ASN A 75 6.571 8.461 -8.394 1.00 0.00 O ATOM 1119 ND2 ASN A 75 6.823 6.465 -9.392 1.00 0.00 N ATOM 0 H ASN A 75 3.087 9.452 -9.963 1.00 0.00 H new ATOM 0 HA ASN A 75 5.535 8.970 -11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.052 8.072 -8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.335 6.597 -9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.780 6.367 -9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.408 5.732 -9.966 1.00 0.00 H new ATOM 1126 N ALA A 76 5.540 6.679 -12.384 1.00 0.00 N ATOM 1127 CA ALA A 76 5.542 5.721 -13.483 1.00 0.00 C ATOM 1128 C ALA A 76 4.410 4.709 -13.336 1.00 0.00 C ATOM 1129 O ALA A 76 3.584 4.814 -12.430 1.00 0.00 O ATOM 1130 CB ALA A 76 6.884 5.008 -13.558 1.00 0.00 C ATOM 0 H ALA A 76 6.411 6.713 -11.854 1.00 0.00 H new ATOM 0 HA ALA A 76 5.382 6.271 -14.410 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.872 4.296 -14.383 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.676 5.739 -13.722 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.067 4.478 -12.623 1.00 0.00 H new ATOM 1136 N LEU A 77 4.380 3.730 -14.234 1.00 0.00 N ATOM 1137 CA LEU A 77 3.350 2.697 -14.206 1.00 0.00 C ATOM 1138 C LEU A 77 3.973 1.312 -14.057 1.00 0.00 C ATOM 1139 O LEU A 77 4.277 0.647 -15.047 1.00 0.00 O ATOM 1140 CB LEU A 77 2.502 2.759 -15.480 1.00 0.00 C ATOM 1141 CG LEU A 77 0.996 2.893 -15.248 1.00 0.00 C ATOM 1142 CD1 LEU A 77 0.491 1.771 -14.354 1.00 0.00 C ATOM 1143 CD2 LEU A 77 0.669 4.249 -14.642 1.00 0.00 C ATOM 0 H LEU A 77 5.057 3.630 -14.990 1.00 0.00 H new ATOM 0 HA LEU A 77 2.708 2.879 -13.344 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.838 3.603 -16.082 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.686 1.858 -16.065 1.00 0.00 H new ATOM 0 HG LEU A 77 0.491 2.816 -16.211 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.582 1.883 -14.200 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.691 0.810 -14.828 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.002 1.814 -13.392 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.407 4.327 -14.484 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.185 4.355 -13.688 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.994 5.038 -15.320 1.00 0.00 H new ATOM 1155 N LEU A 78 4.158 0.884 -12.813 1.00 0.00 N ATOM 1156 CA LEU A 78 4.744 -0.422 -12.531 1.00 0.00 C ATOM 1157 C LEU A 78 3.682 -1.391 -12.019 1.00 0.00 C ATOM 1158 O LEU A 78 2.503 -1.047 -11.941 1.00 0.00 O ATOM 1159 CB LEU A 78 5.874 -0.293 -11.506 1.00 0.00 C ATOM 1160 CG LEU A 78 5.680 0.804 -10.457 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.456 0.513 -9.602 1.00 0.00 C ATOM 1162 CD2 LEU A 78 6.922 0.935 -9.588 1.00 0.00 C ATOM 0 H LEU A 78 3.911 1.423 -11.983 1.00 0.00 H new ATOM 0 HA LEU A 78 5.156 -0.816 -13.460 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.988 -1.248 -10.993 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.806 -0.104 -12.038 1.00 0.00 H new ATOM 0 HG LEU A 78 5.521 1.751 -10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.333 1.303 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.571 0.470 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.586 -0.443 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.767 1.720 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.112 -0.011 -9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.778 1.190 -10.213 1.00 0.00 H new ATOM 1174 N GLU A 79 4.105 -2.603 -11.674 1.00 0.00 N ATOM 1175 CA GLU A 79 3.183 -3.616 -11.173 1.00 0.00 C ATOM 1176 C GLU A 79 3.778 -4.363 -9.984 1.00 0.00 C ATOM 1177 O GLU A 79 4.930 -4.795 -10.022 1.00 0.00 O ATOM 1178 CB GLU A 79 2.829 -4.606 -12.285 1.00 0.00 C ATOM 1179 CG GLU A 79 4.033 -5.087 -13.077 1.00 0.00 C ATOM 1180 CD GLU A 79 4.156 -4.402 -14.424 1.00 0.00 C ATOM 1181 OE1 GLU A 79 3.110 -4.129 -15.049 1.00 0.00 O1- ATOM 1182 OE2 GLU A 79 5.299 -4.140 -14.854 1.00 0.00 O ATOM 0 H GLU A 79 5.077 -2.907 -11.732 1.00 0.00 H new ATOM 0 HA GLU A 79 2.277 -3.110 -10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.325 -5.467 -11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.120 -4.136 -12.967 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.939 -4.908 -12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.958 -6.164 -13.227 1.00 0.00 H new ATOM 1189 N PHE A 80 2.982 -4.514 -8.929 1.00 0.00 N ATOM 1190 CA PHE A 80 3.427 -5.211 -7.729 1.00 0.00 C ATOM 1191 C PHE A 80 3.278 -6.723 -7.896 1.00 0.00 C ATOM 1192 O PHE A 80 2.388 -7.192 -8.605 1.00 0.00 O ATOM 1193 CB PHE A 80 2.640 -4.718 -6.505 1.00 0.00 C ATOM 1194 CG PHE A 80 1.497 -5.611 -6.103 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.290 -5.561 -6.780 1.00 0.00 C ATOM 1196 CD2 PHE A 80 1.637 -6.501 -5.052 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.759 -6.384 -6.416 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.592 -7.326 -4.682 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.607 -7.268 -5.365 1.00 0.00 C ATOM 0 H PHE A 80 2.026 -4.162 -8.882 1.00 0.00 H new ATOM 0 HA PHE A 80 4.483 -4.992 -7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.324 -4.622 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.251 -3.722 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.167 -4.871 -7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.573 -6.551 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.695 -6.336 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.713 -8.015 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.425 -7.913 -5.078 1.00 0.00 H new ATOM 1209 N VAL A 81 4.153 -7.478 -7.241 1.00 0.00 N ATOM 1210 CA VAL A 81 4.114 -8.931 -7.321 1.00 0.00 C ATOM 1211 C VAL A 81 3.519 -9.532 -6.053 1.00 0.00 C ATOM 1212 O VAL A 81 2.792 -10.524 -6.108 1.00 0.00 O ATOM 1213 CB VAL A 81 5.518 -9.522 -7.548 1.00 0.00 C ATOM 1214 CG1 VAL A 81 5.988 -9.251 -8.969 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.506 -8.960 -6.537 1.00 0.00 C ATOM 0 H VAL A 81 4.897 -7.107 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 81 3.483 -9.184 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 81 5.464 -10.601 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.982 -9.676 -9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.294 -9.707 -9.675 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.025 -8.175 -9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.492 -9.390 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.558 -7.876 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.177 -9.211 -5.529 1.00 0.00 H new ATOM 1225 N ARG A 82 3.832 -8.923 -4.912 1.00 0.00 N ATOM 1226 CA ARG A 82 3.327 -9.395 -3.624 1.00 0.00 C ATOM 1227 C ARG A 82 3.937 -8.601 -2.474 1.00 0.00 C ATOM 1228 O ARG A 82 4.922 -7.884 -2.656 1.00 0.00 O ATOM 1229 CB ARG A 82 3.632 -10.879 -3.441 1.00 0.00 C ATOM 1230 CG ARG A 82 5.092 -11.211 -3.652 1.00 0.00 C ATOM 1231 CD ARG A 82 5.284 -12.660 -4.071 1.00 0.00 C ATOM 1232 NE ARG A 82 6.585 -12.881 -4.697 1.00 0.00 N ATOM 1233 CZ ARG A 82 6.918 -13.998 -5.341 1.00 0.00 C ATOM 1234 NH1 ARG A 82 6.048 -14.995 -5.447 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.123 -14.117 -5.881 1.00 0.00 N ATOM 0 H ARG A 82 4.433 -8.101 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 82 2.247 -9.248 -3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.337 -11.184 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.028 -11.458 -4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.508 -10.553 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.645 -11.022 -2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.187 -13.306 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.494 -12.944 -4.766 1.00 0.00 H new ATOM 0 HE ARG A 82 7.279 -12.136 -4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.119 -14.908 -5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.308 -15.848 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.794 -13.353 -5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.379 -14.972 -6.374 1.00 0.00 H new ATOM 1249 N VAL A 83 3.348 -8.734 -1.290 1.00 0.00 N ATOM 1250 CA VAL A 83 3.835 -8.029 -0.112 1.00 0.00 C ATOM 1251 C VAL A 83 4.906 -8.839 0.615 1.00 0.00 C ATOM 1252 O VAL A 83 4.839 -10.067 0.669 1.00 0.00 O ATOM 1253 CB VAL A 83 2.685 -7.709 0.868 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.535 -7.028 0.140 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.206 -8.970 1.575 1.00 0.00 C ATOM 0 H VAL A 83 2.533 -9.324 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 83 4.272 -7.094 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 83 3.065 -7.023 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.735 -6.811 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.887 -6.098 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.159 -7.687 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.396 -8.718 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.847 -9.687 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.031 -9.409 2.136 1.00 0.00 H new ATOM 1265 N VAL A 84 5.891 -8.142 1.171 1.00 0.00 N ATOM 1266 CA VAL A 84 6.975 -8.795 1.894 1.00 0.00 C ATOM 1267 C VAL A 84 7.046 -8.326 3.348 1.00 0.00 C ATOM 1268 O VAL A 84 7.730 -8.938 4.169 1.00 0.00 O ATOM 1269 CB VAL A 84 8.335 -8.536 1.214 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.643 -7.046 1.176 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.444 -9.302 1.922 1.00 0.00 C ATOM 0 H VAL A 84 5.961 -7.125 1.135 1.00 0.00 H new ATOM 0 HA VAL A 84 6.761 -9.864 1.878 1.00 0.00 H new ATOM 0 HB VAL A 84 8.278 -8.895 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.607 -6.886 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.865 -6.528 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.678 -6.656 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.395 -9.106 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.503 -8.979 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.229 -10.370 1.885 1.00 0.00 H new ATOM 1281 N LYS A 85 6.343 -7.240 3.666 1.00 0.00 N ATOM 1282 CA LYS A 85 6.343 -6.707 5.025 1.00 0.00 C ATOM 1283 C LYS A 85 5.004 -6.059 5.361 1.00 0.00 C ATOM 1284 O LYS A 85 4.309 -5.550 4.481 1.00 0.00 O ATOM 1285 CB LYS A 85 7.469 -5.686 5.199 1.00 0.00 C ATOM 1286 CG LYS A 85 8.761 -6.077 4.501 1.00 0.00 C ATOM 1287 CD LYS A 85 9.942 -5.274 5.024 1.00 0.00 C ATOM 1288 CE LYS A 85 11.244 -5.710 4.371 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.382 -5.688 5.331 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.770 -6.716 3.005 1.00 0.00 H new ATOM 0 HA LYS A 85 6.506 -7.540 5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.136 -4.722 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.667 -5.554 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.948 -7.140 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.658 -5.918 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.775 -4.214 4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.017 -5.396 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.129 -6.716 3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.466 -5.053 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.251 -5.992 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.509 -4.723 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.182 -6.334 6.121 1.00 0.00 H new ATOM 1303 N ALA A 86 4.650 -6.080 6.643 1.00 0.00 N ATOM 1304 CA ALA A 86 3.396 -5.494 7.101 1.00 0.00 C ATOM 1305 C ALA A 86 3.544 -4.904 8.500 1.00 0.00 C ATOM 1306 O ALA A 86 4.039 -5.564 9.414 1.00 0.00 O ATOM 1307 CB ALA A 86 2.289 -6.537 7.080 1.00 0.00 C ATOM 0 H ALA A 86 5.215 -6.497 7.383 1.00 0.00 H new ATOM 0 HA ALA A 86 3.131 -4.685 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.358 -6.086 7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.158 -6.908 6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.556 -7.365 7.737 1.00 0.00 H new ATOM 1313 N LYS A 87 3.113 -3.657 8.660 1.00 0.00 N ATOM 1314 CA LYS A 87 3.197 -2.975 9.946 1.00 0.00 C ATOM 1315 C LYS A 87 1.951 -2.132 10.197 1.00 0.00 C ATOM 1316 O LYS A 87 1.305 -1.667 9.257 1.00 0.00 O ATOM 1317 CB LYS A 87 4.444 -2.091 9.998 1.00 0.00 C ATOM 1318 CG LYS A 87 5.719 -2.856 10.313 1.00 0.00 C ATOM 1319 CD LYS A 87 6.519 -3.150 9.054 1.00 0.00 C ATOM 1320 CE LYS A 87 7.132 -4.540 9.095 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.379 -4.573 9.908 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.701 -3.097 7.913 1.00 0.00 H new ATOM 0 HA LYS A 87 3.265 -3.732 10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.561 -1.585 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.299 -1.317 10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.330 -2.277 11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.469 -3.792 10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.871 -3.062 8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.308 -2.406 8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.410 -5.243 9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.352 -4.870 8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.766 -5.538 9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.078 -3.921 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.165 -4.283 10.884 1.00 0.00 H new ATOM 1335 N GLU A 88 1.617 -1.939 11.469 1.00 0.00 N ATOM 1336 CA GLU A 88 0.446 -1.152 11.841 1.00 0.00 C ATOM 1337 C GLU A 88 0.855 0.148 12.526 1.00 0.00 C ATOM 1338 O GLU A 88 1.904 0.222 13.166 1.00 0.00 O ATOM 1339 CB GLU A 88 -0.466 -1.962 12.765 1.00 0.00 C ATOM 1340 CG GLU A 88 -0.887 -3.301 12.183 1.00 0.00 C ATOM 1341 CD GLU A 88 -2.300 -3.279 11.634 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -2.802 -2.177 11.329 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -2.905 -4.365 11.509 1.00 0.00 O ATOM 0 H GLU A 88 2.140 -2.316 12.259 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.097 -0.905 10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.048 -2.132 13.711 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.357 -1.375 12.987 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.196 -3.581 11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.812 -4.068 12.954 1.00 0.00 H new ATOM 1350 N GLN A 89 0.018 1.172 12.387 1.00 0.00 N ATOM 1351 CA GLN A 89 0.290 2.471 12.992 1.00 0.00 C ATOM 1352 C GLN A 89 -1.010 3.213 13.287 1.00 0.00 C ATOM 1353 O GLN A 89 -1.985 3.097 12.544 1.00 0.00 O ATOM 1354 CB GLN A 89 1.174 3.311 12.070 1.00 0.00 C ATOM 1355 CG GLN A 89 1.525 4.677 12.640 1.00 0.00 C ATOM 1356 CD GLN A 89 3.020 4.929 12.676 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.543 5.492 13.637 1.00 0.00 O ATOM 1358 NE2 GLN A 89 3.716 4.513 11.624 1.00 0.00 N ATOM 0 H GLN A 89 -0.854 1.127 11.860 1.00 0.00 H new ATOM 0 HA GLN A 89 0.815 2.305 13.933 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.095 2.764 11.866 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.665 3.445 11.116 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.045 5.451 12.041 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.122 4.759 13.650 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.241 4.050 10.849 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.725 4.656 11.591 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.018 3.976 14.376 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.200 4.735 14.768 1.00 0.00 C ATOM 1369 C VAL A 90 -1.950 6.236 14.672 1.00 0.00 C ATOM 1370 O VAL A 90 -1.053 6.770 15.325 1.00 0.00 O ATOM 1371 CB VAL A 90 -2.638 4.391 16.204 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -3.980 5.033 16.522 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -2.701 2.884 16.397 1.00 0.00 C ATOM 0 H VAL A 90 -0.220 4.085 15.002 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.995 4.458 14.076 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.897 4.792 16.895 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.273 4.779 17.541 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.897 6.116 16.428 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.733 4.665 15.825 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.012 2.661 17.417 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.419 2.457 15.697 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.717 2.452 16.215 1.00 0.00 H new ATOM 1383 N VAL A 91 -2.750 6.912 13.853 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.620 8.353 13.670 1.00 0.00 C ATOM 1385 C VAL A 91 -3.892 8.945 13.073 1.00 0.00 C ATOM 1386 O VAL A 91 -4.118 8.866 11.866 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.428 8.702 12.757 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.119 8.610 13.527 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.402 7.793 11.537 1.00 0.00 C ATOM 0 H VAL A 91 -3.496 6.484 13.305 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.447 8.782 14.657 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.549 9.729 12.413 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.711 8.860 12.866 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.139 9.308 14.364 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.011 7.596 13.904 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.553 8.056 10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.308 6.756 11.858 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.326 7.916 10.972 1.00 0.00 H new ATOM 1399 N SER A 92 -4.722 9.537 13.927 1.00 0.00 N ATOM 1400 CA SER A 92 -5.974 10.140 13.483 1.00 0.00 C ATOM 1401 C SER A 92 -6.866 9.103 12.807 1.00 0.00 C ATOM 1402 O SER A 92 -7.674 9.434 11.940 1.00 0.00 O ATOM 1403 CB SER A 92 -5.695 11.295 12.520 1.00 0.00 C ATOM 1404 OG SER A 92 -5.143 12.407 13.204 1.00 0.00 O ATOM 0 H SER A 92 -4.550 9.612 14.930 1.00 0.00 H new ATOM 0 HA SER A 92 -6.494 10.525 14.360 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.008 10.965 11.741 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.620 11.591 12.025 1.00 0.00 H new ATOM 0 HG SER A 92 -4.972 13.131 12.566 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.712 7.846 13.210 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.506 6.778 12.634 1.00 0.00 C ATOM 1412 C GLY A 93 -6.761 5.458 12.606 1.00 0.00 C ATOM 1413 O GLY A 93 -6.493 4.868 13.652 1.00 0.00 O ATOM 0 H GLY A 93 -6.050 7.548 13.927 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.425 6.662 13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.796 7.051 11.619 1.00 0.00 H new ATOM 1417 N MET A 94 -6.423 4.996 11.407 1.00 0.00 N ATOM 1418 CA MET A 94 -5.701 3.739 11.251 1.00 0.00 C ATOM 1419 C MET A 94 -4.775 3.787 10.040 1.00 0.00 C ATOM 1420 O MET A 94 -5.232 3.878 8.900 1.00 0.00 O ATOM 1421 CB MET A 94 -6.685 2.576 11.110 1.00 0.00 C ATOM 1422 CG MET A 94 -7.439 2.258 12.390 1.00 0.00 C ATOM 1423 SD MET A 94 -6.426 1.375 13.592 1.00 0.00 S ATOM 1424 CE MET A 94 -6.536 2.476 15.001 1.00 0.00 C ATOM 0 H MET A 94 -6.637 5.472 10.531 1.00 0.00 H new ATOM 0 HA MET A 94 -5.093 3.586 12.143 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.403 2.812 10.324 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.141 1.688 10.789 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.798 3.186 12.835 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.317 1.658 12.150 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.704 1.893 15.906 1.00 0.00 H new ATOM 0 HE2 MET A 94 -5.606 3.036 15.098 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.364 3.170 14.857 1.00 0.00 H new ATOM 1434 N MET A 95 -3.472 3.722 10.294 1.00 0.00 N ATOM 1435 CA MET A 95 -2.481 3.753 9.225 1.00 0.00 C ATOM 1436 C MET A 95 -1.758 2.414 9.124 1.00 0.00 C ATOM 1437 O MET A 95 -1.295 1.872 10.127 1.00 0.00 O ATOM 1438 CB MET A 95 -1.471 4.877 9.466 1.00 0.00 C ATOM 1439 CG MET A 95 -1.029 5.580 8.192 1.00 0.00 C ATOM 1440 SD MET A 95 0.014 7.014 8.515 1.00 0.00 S ATOM 1441 CE MET A 95 -1.184 8.340 8.392 1.00 0.00 C ATOM 0 H MET A 95 -3.078 3.647 11.232 1.00 0.00 H new ATOM 0 HA MET A 95 -2.999 3.941 8.285 1.00 0.00 H new ATOM 0 HB2 MET A 95 -1.910 5.610 10.142 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.595 4.466 9.967 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.486 4.875 7.563 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.909 5.895 7.632 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.758 9.254 8.805 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.442 8.501 7.345 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.081 8.073 8.950 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.669 1.882 7.909 1.00 0.00 N ATOM 1452 CA HIS A 96 -1.008 0.602 7.684 1.00 0.00 C ATOM 1453 C HIS A 96 0.228 0.765 6.805 1.00 0.00 C ATOM 1454 O HIS A 96 0.134 1.189 5.653 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.978 -0.388 7.038 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.517 -1.811 7.109 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.641 -2.587 8.242 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -0.929 -2.599 6.178 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.148 -3.790 8.006 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -0.711 -3.823 6.761 1.00 0.00 N ATOM 0 H HIS A 96 -2.046 2.317 7.067 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.690 0.215 8.652 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.949 -0.304 7.527 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.122 -0.113 5.993 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -2.050 -2.280 9.125 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.678 -2.317 5.166 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.109 -4.607 8.711 1.00 0.00 H new ATOM 1469 N TYR A 97 1.386 0.414 7.356 1.00 0.00 N ATOM 1470 CA TYR A 97 2.644 0.508 6.625 1.00 0.00 C ATOM 1471 C TYR A 97 3.089 -0.873 6.160 1.00 0.00 C ATOM 1472 O TYR A 97 3.621 -1.658 6.945 1.00 0.00 O ATOM 1473 CB TYR A 97 3.727 1.133 7.507 1.00 0.00 C ATOM 1474 CG TYR A 97 3.507 2.600 7.800 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.337 3.042 8.406 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.472 3.544 7.473 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.135 4.382 8.675 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.278 4.886 7.740 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.108 5.299 8.341 1.00 0.00 C ATOM 1480 OH TYR A 97 2.911 6.635 8.608 1.00 0.00 O ATOM 0 H TYR A 97 1.479 0.061 8.309 1.00 0.00 H new ATOM 0 HA TYR A 97 2.489 1.143 5.753 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.774 0.587 8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.694 1.011 7.019 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.573 2.326 8.671 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.390 3.224 7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.219 4.709 9.145 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.039 5.607 7.479 1.00 0.00 H new ATOM 0 HH TYR A 97 2.030 6.760 9.018 1.00 0.00 H new ATOM 1490 N LEU A 98 2.864 -1.173 4.885 1.00 0.00 N ATOM 1491 CA LEU A 98 3.239 -2.471 4.335 1.00 0.00 C ATOM 1492 C LEU A 98 4.189 -2.319 3.151 1.00 0.00 C ATOM 1493 O LEU A 98 4.038 -1.412 2.332 1.00 0.00 O ATOM 1494 CB LEU A 98 1.988 -3.248 3.910 1.00 0.00 C ATOM 1495 CG LEU A 98 1.413 -2.873 2.541 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.280 -3.813 2.161 1.00 0.00 C ATOM 1497 CD2 LEU A 98 0.935 -1.429 2.542 1.00 0.00 C ATOM 0 H LEU A 98 2.426 -0.539 4.216 1.00 0.00 H new ATOM 0 HA LEU A 98 3.759 -3.027 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.226 -4.312 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.215 -3.097 4.663 1.00 0.00 H new ATOM 0 HG LEU A 98 2.203 -2.973 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.116 -3.530 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.655 -4.836 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.512 -3.748 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.529 -1.179 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.160 -1.303 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.772 -0.769 2.767 1.00 0.00 H new ATOM 1509 N THR A 99 5.163 -3.218 3.065 1.00 0.00 N ATOM 1510 CA THR A 99 6.132 -3.193 1.978 1.00 0.00 C ATOM 1511 C THR A 99 5.863 -4.328 1.000 1.00 0.00 C ATOM 1512 O THR A 99 5.541 -5.444 1.407 1.00 0.00 O ATOM 1513 CB THR A 99 7.553 -3.304 2.530 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.630 -2.748 3.831 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.586 -2.607 1.671 1.00 0.00 C ATOM 0 H THR A 99 5.302 -3.973 3.736 1.00 0.00 H new ATOM 0 HA THR A 99 6.033 -2.245 1.450 1.00 0.00 H new ATOM 0 HB THR A 99 7.775 -4.371 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.570 -2.625 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.572 -2.725 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.587 -3.047 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.344 -1.547 1.600 1.00 0.00 H new ATOM 1523 N VAL A 100 5.988 -4.041 -0.291 1.00 0.00 N ATOM 1524 CA VAL A 100 5.748 -5.048 -1.315 1.00 0.00 C ATOM 1525 C VAL A 100 6.773 -4.951 -2.442 1.00 0.00 C ATOM 1526 O VAL A 100 7.427 -3.923 -2.616 1.00 0.00 O ATOM 1527 CB VAL A 100 4.322 -4.924 -1.900 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.301 -4.743 -0.787 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.234 -3.776 -2.898 1.00 0.00 C ATOM 0 H VAL A 100 6.253 -3.124 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 100 5.848 -6.021 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 100 4.096 -5.849 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.304 -4.658 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.335 -5.603 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.532 -3.838 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.220 -3.714 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.488 -2.840 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.932 -3.952 -3.717 1.00 0.00 H new ATOM 1539 N GLU A 101 6.902 -6.030 -3.208 1.00 0.00 N ATOM 1540 CA GLU A 101 7.840 -6.068 -4.322 1.00 0.00 C ATOM 1541 C GLU A 101 7.170 -5.570 -5.598 1.00 0.00 C ATOM 1542 O GLU A 101 6.049 -5.965 -5.915 1.00 0.00 O ATOM 1543 CB GLU A 101 8.366 -7.489 -4.527 1.00 0.00 C ATOM 1544 CG GLU A 101 9.656 -7.775 -3.775 1.00 0.00 C ATOM 1545 CD GLU A 101 10.198 -9.163 -4.053 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.528 -10.148 -3.679 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 11.293 -9.265 -4.645 1.00 0.00 O ATOM 0 H GLU A 101 6.368 -6.889 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 101 8.679 -5.413 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.604 -8.199 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.531 -7.656 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.406 -7.034 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.480 -7.665 -2.705 1.00 0.00 H new ATOM 1554 N VAL A 102 7.858 -4.694 -6.322 1.00 0.00 N ATOM 1555 CA VAL A 102 7.318 -4.139 -7.556 1.00 0.00 C ATOM 1556 C VAL A 102 8.256 -4.381 -8.734 1.00 0.00 C ATOM 1557 O VAL A 102 9.476 -4.432 -8.572 1.00 0.00 O ATOM 1558 CB VAL A 102 7.060 -2.627 -7.424 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.304 -2.105 -8.635 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.301 -2.325 -6.141 1.00 0.00 C ATOM 0 H VAL A 102 8.788 -4.354 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 102 6.373 -4.650 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 102 8.022 -2.116 -7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.131 -1.035 -8.523 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.891 -2.285 -9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.347 -2.620 -8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.128 -1.252 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.344 -2.847 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.886 -2.660 -5.285 1.00 0.00 H new ATOM 1570 N ASN A 103 7.674 -4.527 -9.920 1.00 0.00 N ATOM 1571 CA ASN A 103 8.449 -4.759 -11.132 1.00 0.00 C ATOM 1572 C ASN A 103 8.085 -3.742 -12.209 1.00 0.00 C ATOM 1573 O ASN A 103 6.943 -3.287 -12.285 1.00 0.00 O ATOM 1574 CB ASN A 103 8.209 -6.178 -11.652 1.00 0.00 C ATOM 1575 CG ASN A 103 9.121 -6.531 -12.811 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.026 -5.948 -13.891 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.013 -7.491 -12.591 1.00 0.00 N ATOM 0 H ASN A 103 6.665 -4.488 -10.067 1.00 0.00 H new ATOM 0 HA ASN A 103 9.505 -4.644 -10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.364 -6.890 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.170 -6.275 -11.968 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.654 -7.771 -13.333 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.057 -7.948 -11.680 1.00 0.00 H new ATOM 1584 N ASP A 104 9.062 -3.386 -13.037 1.00 0.00 N ATOM 1585 CA ASP A 104 8.841 -2.419 -14.107 1.00 0.00 C ATOM 1586 C ASP A 104 9.779 -2.679 -15.282 1.00 0.00 C ATOM 1587 O ASP A 104 10.982 -2.434 -15.195 1.00 0.00 O ATOM 1588 CB ASP A 104 9.044 -0.996 -13.585 1.00 0.00 C ATOM 1589 CG ASP A 104 8.191 0.018 -14.322 1.00 0.00 C ATOM 1590 OD1 ASP A 104 7.751 -0.286 -15.451 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 7.963 1.115 -13.771 1.00 0.00 O ATOM 0 H ASP A 104 10.013 -3.752 -12.988 1.00 0.00 H new ATOM 0 HA ASP A 104 7.814 -2.530 -14.455 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.804 -0.964 -12.522 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.095 -0.723 -13.683 1.00 0.00 H new ATOM 1596 N ALA A 105 9.218 -3.175 -16.381 1.00 0.00 N ATOM 1597 CA ALA A 105 10.002 -3.466 -17.576 1.00 0.00 C ATOM 1598 C ALA A 105 11.167 -4.399 -17.261 1.00 0.00 C ATOM 1599 O ALA A 105 12.209 -4.349 -17.915 1.00 0.00 O ATOM 1600 CB ALA A 105 10.511 -2.175 -18.199 1.00 0.00 C ATOM 0 H ALA A 105 8.223 -3.384 -16.468 1.00 0.00 H new ATOM 0 HA ALA A 105 9.352 -3.972 -18.290 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.095 -2.406 -19.090 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.665 -1.545 -18.473 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.139 -1.647 -17.481 1.00 0.00 H new ATOM 1606 N GLY A 106 10.985 -5.248 -16.256 1.00 0.00 N ATOM 1607 CA GLY A 106 12.030 -6.179 -15.873 1.00 0.00 C ATOM 1608 C GLY A 106 12.715 -5.783 -14.580 1.00 0.00 C ATOM 1609 O GLY A 106 13.229 -6.636 -13.856 1.00 0.00 O ATOM 0 H GLY A 106 10.132 -5.308 -15.699 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.602 -7.175 -15.763 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.771 -6.236 -16.670 1.00 0.00 H new ATOM 1613 N LYS A 107 12.724 -4.486 -14.288 1.00 0.00 N ATOM 1614 CA LYS A 107 13.352 -3.982 -13.073 1.00 0.00 C ATOM 1615 C LYS A 107 12.553 -4.393 -11.840 1.00 0.00 C ATOM 1616 O LYS A 107 11.453 -3.894 -11.607 1.00 0.00 O ATOM 1617 CB LYS A 107 13.475 -2.458 -13.131 1.00 0.00 C ATOM 1618 CG LYS A 107 14.748 -1.976 -13.807 1.00 0.00 C ATOM 1619 CD LYS A 107 15.838 -1.677 -12.791 1.00 0.00 C ATOM 1620 CE LYS A 107 15.718 -0.263 -12.245 1.00 0.00 C ATOM 1621 NZ LYS A 107 16.118 0.758 -13.253 1.00 0.00 N1+ ATOM 0 H LYS A 107 12.304 -3.766 -14.876 1.00 0.00 H new ATOM 0 HA LYS A 107 14.349 -4.416 -13.001 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.615 -2.052 -13.663 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.439 -2.060 -12.117 1.00 0.00 H new ATOM 0 HG2 LYS A 107 15.099 -2.734 -14.507 1.00 0.00 H new ATOM 0 HG3 LYS A 107 14.535 -1.079 -14.389 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.778 -2.391 -11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 107 16.815 -1.807 -13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.690 -0.081 -11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.344 -0.162 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 16.268 1.672 -12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 16.999 0.460 -13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.367 0.856 -13.965 1.00 0.00 H new ATOM 1635 N LYS A 108 13.115 -5.306 -11.055 1.00 0.00 N ATOM 1636 CA LYS A 108 12.455 -5.786 -9.846 1.00 0.00 C ATOM 1637 C LYS A 108 13.089 -5.176 -8.601 1.00 0.00 C ATOM 1638 O LYS A 108 14.312 -5.094 -8.491 1.00 0.00 O ATOM 1639 CB LYS A 108 12.528 -7.313 -9.775 1.00 0.00 C ATOM 1640 CG LYS A 108 11.849 -7.899 -8.548 1.00 0.00 C ATOM 1641 CD LYS A 108 10.440 -8.375 -8.865 1.00 0.00 C ATOM 1642 CE LYS A 108 9.639 -8.622 -7.597 1.00 0.00 C ATOM 1643 NZ LYS A 108 9.618 -10.063 -7.224 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.026 -5.728 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 108 11.410 -5.480 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.067 -7.732 -10.670 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.574 -7.619 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.439 -8.733 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.812 -7.149 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.932 -7.631 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.488 -9.293 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.066 -8.042 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.618 -8.269 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.195 -10.171 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.054 -10.593 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.590 -10.433 -7.212 1.00 0.00 H new ATOM 1657 N LYS A 109 12.249 -4.749 -7.663 1.00 0.00 N ATOM 1658 CA LYS A 109 12.729 -4.147 -6.425 1.00 0.00 C ATOM 1659 C LYS A 109 11.654 -4.188 -5.344 1.00 0.00 C ATOM 1660 O LYS A 109 10.523 -4.607 -5.592 1.00 0.00 O ATOM 1661 CB LYS A 109 13.166 -2.702 -6.671 1.00 0.00 C ATOM 1662 CG LYS A 109 14.636 -2.563 -7.031 1.00 0.00 C ATOM 1663 CD LYS A 109 14.831 -2.400 -8.530 1.00 0.00 C ATOM 1664 CE LYS A 109 14.859 -0.934 -8.931 1.00 0.00 C ATOM 1665 NZ LYS A 109 16.165 -0.295 -8.611 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.233 -4.809 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 109 13.586 -4.725 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.562 -2.281 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.962 -2.113 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.059 -1.702 -6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.181 -3.442 -6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.763 -2.879 -8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.026 -2.908 -9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 109 14.664 -0.846 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 109 14.059 -0.402 -8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 16.174 0.679 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.301 -0.280 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.934 -0.837 -9.053 1.00 0.00 H new ATOM 1679 N LEU A 110 12.015 -3.746 -4.143 1.00 0.00 N ATOM 1680 CA LEU A 110 11.085 -3.728 -3.021 1.00 0.00 C ATOM 1681 C LEU A 110 10.801 -2.295 -2.582 1.00 0.00 C ATOM 1682 O LEU A 110 11.714 -1.556 -2.215 1.00 0.00 O ATOM 1683 CB LEU A 110 11.652 -4.536 -1.849 1.00 0.00 C ATOM 1684 CG LEU A 110 10.937 -4.342 -0.509 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.432 -4.492 -0.677 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.460 -5.331 0.522 1.00 0.00 C ATOM 0 H LEU A 110 12.947 -3.395 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 110 10.149 -4.183 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.618 -5.594 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.702 -4.272 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 110 11.143 -3.332 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.942 -4.351 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.068 -3.744 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.206 -5.489 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.941 -5.179 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.285 -6.348 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.529 -5.175 0.666 1.00 0.00 H new ATOM 1698 N TYR A 111 9.530 -1.908 -2.621 1.00 0.00 N ATOM 1699 CA TYR A 111 9.129 -0.563 -2.228 1.00 0.00 C ATOM 1700 C TYR A 111 8.117 -0.604 -1.086 1.00 0.00 C ATOM 1701 O TYR A 111 7.236 -1.463 -1.053 1.00 0.00 O ATOM 1702 CB TYR A 111 8.538 0.186 -3.426 1.00 0.00 C ATOM 1703 CG TYR A 111 9.354 0.053 -4.695 1.00 0.00 C ATOM 1704 CD1 TYR A 111 10.742 -0.009 -4.653 1.00 0.00 C ATOM 1705 CD2 TYR A 111 8.733 -0.008 -5.936 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.486 -0.127 -5.811 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.471 -0.127 -7.098 1.00 0.00 C ATOM 1708 CZ TYR A 111 10.846 -0.186 -7.031 1.00 0.00 C ATOM 1709 OH TYR A 111 11.584 -0.304 -8.186 1.00 0.00 O ATOM 0 H TYR A 111 8.761 -2.507 -2.921 1.00 0.00 H new ATOM 0 HA TYR A 111 10.016 -0.035 -1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.530 -0.185 -3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.447 1.242 -3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.247 0.036 -3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.656 0.038 -5.994 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.564 -0.173 -5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.972 -0.174 -8.055 1.00 0.00 H new ATOM 0 HH TYR A 111 10.981 -0.333 -8.958 1.00 0.00 H new ATOM 1719 N GLU A 112 8.251 0.333 -0.152 1.00 0.00 N ATOM 1720 CA GLU A 112 7.352 0.410 0.993 1.00 0.00 C ATOM 1721 C GLU A 112 6.194 1.363 0.715 1.00 0.00 C ATOM 1722 O GLU A 112 6.359 2.371 0.027 1.00 0.00 O ATOM 1723 CB GLU A 112 8.116 0.867 2.238 1.00 0.00 C ATOM 1724 CG GLU A 112 7.620 0.227 3.524 1.00 0.00 C ATOM 1725 CD GLU A 112 7.587 1.202 4.685 1.00 0.00 C ATOM 1726 OE1 GLU A 112 7.063 2.321 4.505 1.00 0.00 O ATOM 1727 OE2 GLU A 112 8.086 0.846 5.774 1.00 0.00 O1- ATOM 0 H GLU A 112 8.976 1.051 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 112 6.944 -0.585 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.173 0.635 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.035 1.950 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.620 -0.175 3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.264 -0.614 3.779 1.00 0.00 H new ATOM 1734 N ALA A 113 5.024 1.036 1.253 1.00 0.00 N ATOM 1735 CA ALA A 113 3.837 1.861 1.063 1.00 0.00 C ATOM 1736 C ALA A 113 3.071 2.034 2.370 1.00 0.00 C ATOM 1737 O ALA A 113 2.794 1.059 3.072 1.00 0.00 O ATOM 1738 CB ALA A 113 2.935 1.247 0.003 1.00 0.00 C ATOM 0 H ALA A 113 4.872 0.205 1.824 1.00 0.00 H new ATOM 0 HA ALA A 113 4.161 2.847 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.052 1.872 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.477 1.179 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.629 0.250 0.319 1.00 0.00 H new ATOM 1744 N LYS A 114 2.725 3.279 2.690 1.00 0.00 N ATOM 1745 CA LYS A 114 1.984 3.567 3.914 1.00 0.00 C ATOM 1746 C LYS A 114 0.609 4.145 3.594 1.00 0.00 C ATOM 1747 O LYS A 114 0.497 5.231 3.025 1.00 0.00 O ATOM 1748 CB LYS A 114 2.765 4.532 4.807 1.00 0.00 C ATOM 1749 CG LYS A 114 3.097 5.847 4.132 1.00 0.00 C ATOM 1750 CD LYS A 114 4.380 6.448 4.683 1.00 0.00 C ATOM 1751 CE LYS A 114 5.608 5.724 4.155 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.834 6.562 4.256 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.944 4.098 2.123 1.00 0.00 H new ATOM 0 HA LYS A 114 1.849 2.628 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.184 4.732 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.691 4.052 5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.199 5.690 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.275 6.548 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.434 7.503 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.368 6.398 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.753 4.800 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.445 5.444 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.263 6.664 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.583 7.501 4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.514 6.107 4.898 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.434 3.407 3.960 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.804 3.840 3.711 1.00 0.00 C ATOM 1768 C VAL A 115 -2.481 4.293 5.000 1.00 0.00 C ATOM 1769 O VAL A 115 -2.161 3.808 6.085 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.642 2.715 3.074 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -4.005 3.238 2.649 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.904 2.106 1.891 1.00 0.00 C ATOM 0 H VAL A 115 -0.356 2.505 4.431 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.748 4.680 3.018 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.796 1.935 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.582 2.429 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.535 3.623 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.877 4.038 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.510 1.313 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.718 2.876 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.954 1.692 2.229 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.413 5.231 4.873 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.132 5.757 6.027 1.00 0.00 C ATOM 1784 C TRP A 116 -5.640 5.643 5.829 1.00 0.00 C ATOM 1785 O TRP A 116 -6.150 5.850 4.727 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.744 7.217 6.269 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.418 7.828 7.460 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.410 7.354 8.740 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.200 9.028 7.480 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.137 8.187 9.556 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.633 9.221 8.805 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.576 9.958 6.506 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.422 10.306 9.180 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.360 11.034 6.879 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.775 11.200 8.206 1.00 0.00 C ATOM 0 H TRP A 116 -3.688 5.643 3.981 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.856 5.164 6.899 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.664 7.280 6.401 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -3.991 7.801 5.383 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -3.906 6.456 9.064 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.284 8.057 10.557 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.260 9.838 5.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.744 10.437 10.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.657 11.758 6.135 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.386 12.051 8.466 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.347 5.313 6.907 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.797 5.170 6.862 1.00 0.00 C ATOM 1808 C GLU A 117 -8.414 5.495 8.219 1.00 0.00 C ATOM 1809 O GLU A 117 -8.020 4.933 9.241 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.177 3.747 6.442 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.676 3.494 6.425 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.149 2.710 7.634 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.364 1.888 8.152 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.304 2.918 8.061 1.00 0.00 O ATOM 0 H GLU A 117 -5.936 5.139 7.824 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.187 5.874 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.773 3.551 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.706 3.039 7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.201 4.448 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.939 2.949 5.518 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.379 6.409 8.223 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.046 6.811 9.454 1.00 0.00 C ATOM 1823 C GLN A 118 -11.392 6.110 9.600 1.00 0.00 C ATOM 1824 O GLN A 118 -11.839 5.405 8.696 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.247 8.328 9.476 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.124 9.107 8.809 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.354 9.305 7.323 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -10.291 9.991 6.914 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.498 8.702 6.507 1.00 0.00 N ATOM 0 H GLN A 118 -9.716 6.885 7.386 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.412 6.520 10.292 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.187 8.568 8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.340 8.658 10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.026 10.080 9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.182 8.580 8.960 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.736 8.143 6.890 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.603 8.798 5.497 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.035 6.313 10.746 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.333 5.706 11.014 1.00 0.00 C ATOM 1840 C VAL A 119 -14.411 6.774 11.178 1.00 0.00 C ATOM 1841 O VAL A 119 -15.543 6.603 10.726 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.291 4.827 12.280 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -12.934 5.661 13.502 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.620 4.114 12.482 1.00 0.00 C ATOM 0 H VAL A 119 -11.677 6.894 11.504 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.576 5.078 10.157 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.516 4.072 12.147 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.910 5.022 14.384 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.955 6.117 13.358 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.681 6.442 13.640 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.570 3.499 13.380 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.416 4.851 12.591 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.828 3.481 11.620 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.048 7.876 11.826 1.00 0.00 N ATOM 1855 CA TRP A 120 -14.980 8.976 12.049 1.00 0.00 C ATOM 1856 C TRP A 120 -15.063 9.882 10.823 1.00 0.00 C ATOM 1857 O TRP A 120 -16.037 10.614 10.646 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.551 9.793 13.269 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.148 10.308 13.173 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.735 11.453 12.555 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -11.970 9.694 13.709 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.374 11.590 12.675 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -10.881 10.522 13.379 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -11.731 8.525 14.436 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.574 10.218 13.752 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.434 8.224 14.806 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.370 9.068 14.464 1.00 0.00 C ATOM 0 H TRP A 120 -13.114 8.031 12.206 1.00 0.00 H new ATOM 0 HA TRP A 120 -15.967 8.550 12.230 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.232 10.635 13.392 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.644 9.175 14.162 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.384 12.150 12.046 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.820 12.361 12.301 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.545 7.868 14.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.752 10.867 13.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.238 7.323 15.368 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.368 8.805 14.769 1.00 0.00 H new ATOM 1878 N MET A 121 -14.037 9.828 9.977 1.00 0.00 N ATOM 1879 CA MET A 121 -13.999 10.642 8.769 1.00 0.00 C ATOM 1880 C MET A 121 -14.462 9.835 7.560 1.00 0.00 C ATOM 1881 O MET A 121 -14.945 10.394 6.575 1.00 0.00 O ATOM 1882 CB MET A 121 -12.583 11.173 8.531 1.00 0.00 C ATOM 1883 CG MET A 121 -12.460 12.044 7.291 1.00 0.00 C ATOM 1884 SD MET A 121 -11.493 13.538 7.581 1.00 0.00 S ATOM 1885 CE MET A 121 -10.474 13.574 6.109 1.00 0.00 C ATOM 0 H MET A 121 -13.222 9.229 10.107 1.00 0.00 H new ATOM 0 HA MET A 121 -14.677 11.485 8.904 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.269 11.749 9.402 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.898 10.330 8.442 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.997 11.466 6.491 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.456 12.322 6.948 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.819 14.444 6.141 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.871 12.667 6.062 1.00 0.00 H new ATOM 0 HE3 MET A 121 -11.111 13.632 5.227 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.312 8.516 7.645 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.714 7.629 6.562 1.00 0.00 C ATOM 1897 C ASN A 122 -13.916 7.920 5.295 1.00 0.00 C ATOM 1898 O ASN A 122 -14.484 8.122 4.221 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.212 7.772 6.284 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.052 6.856 7.153 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -16.861 6.945 8.464 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.863 6.078 6.652 1.00 0.00 N flip ATOM 0 H ASN A 122 -13.914 8.039 8.454 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.508 6.604 6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.513 8.806 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.407 7.551 5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.977 6.043 5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.421 5.468 7.250 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.594 7.940 5.429 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.715 8.206 4.296 1.00 0.00 C ATOM 1911 C PHE A 123 -10.483 7.309 4.341 1.00 0.00 C ATOM 1912 O PHE A 123 -10.029 6.914 5.415 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.292 9.677 4.289 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.362 10.315 2.931 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -10.463 9.962 1.937 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -12.326 11.270 2.648 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -10.524 10.548 0.687 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -12.392 11.859 1.400 1.00 0.00 C ATOM 1919 CZ PHE A 123 -11.490 11.498 0.418 1.00 0.00 C ATOM 0 H PHE A 123 -12.108 7.775 6.310 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.265 7.989 3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.930 10.233 4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -10.272 9.755 4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.706 9.220 2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -13.034 11.557 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.817 10.264 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -13.148 12.601 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 123 -11.540 11.958 -0.558 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.945 6.993 3.168 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.762 6.144 3.074 1.00 0.00 C ATOM 1931 C ARG A 124 -7.982 6.437 1.796 1.00 0.00 C ATOM 1932 O ARG A 124 -8.557 6.522 0.711 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.152 4.662 3.123 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.526 4.364 2.544 1.00 0.00 C ATOM 1935 CD ARG A 124 -10.627 4.812 1.097 1.00 0.00 C ATOM 1936 NE ARG A 124 -11.812 4.270 0.436 1.00 0.00 N ATOM 1937 CZ ARG A 124 -12.258 4.688 -0.746 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -11.622 5.652 -1.400 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -13.343 4.140 -1.277 1.00 0.00 N ATOM 0 H ARG A 124 -10.308 7.311 2.270 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.123 6.366 3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.406 4.083 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.125 4.324 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.726 3.295 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -11.289 4.868 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.656 5.901 1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.735 4.496 0.557 1.00 0.00 H new ATOM 0 HE ARG A 124 -12.328 3.528 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.787 6.077 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.969 5.968 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.835 3.398 -0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.685 4.460 -2.183 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.669 6.594 1.932 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.816 6.881 0.784 1.00 0.00 C ATOM 1955 C GLN A 125 -4.351 6.601 1.103 1.00 0.00 C ATOM 1956 O GLN A 125 -4.003 6.273 2.237 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.984 8.338 0.349 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.971 9.323 1.506 1.00 0.00 C ATOM 1959 CD GLN A 125 -5.102 10.535 1.232 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -4.571 10.697 0.133 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -4.952 11.395 2.233 1.00 0.00 N ATOM 0 H GLN A 125 -6.174 6.528 2.822 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.121 6.225 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.185 8.596 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.924 8.440 -0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.990 9.650 1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.612 8.819 2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.410 11.221 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -4.378 12.229 2.107 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.497 6.737 0.093 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.067 6.505 0.261 1.00 0.00 C ATOM 1972 C LEU A 126 -1.363 7.780 0.713 1.00 0.00 C ATOM 1973 O LEU A 126 -1.613 8.861 0.180 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.454 6.002 -1.049 1.00 0.00 C ATOM 1975 CG LEU A 126 0.075 5.904 -1.057 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.527 4.616 -1.728 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.682 7.111 -1.757 1.00 0.00 C ATOM 0 H LEU A 126 -3.771 7.007 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.932 5.745 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.867 5.018 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.764 6.666 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 126 0.423 5.892 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.616 4.566 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.122 3.762 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.167 4.596 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.769 7.025 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.324 7.153 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.388 8.021 -1.234 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.484 7.647 1.701 1.00 0.00 N ATOM 1990 CA GLN A 127 0.253 8.791 2.224 1.00 0.00 C ATOM 1991 C GLN A 127 1.603 8.938 1.534 1.00 0.00 C ATOM 1992 O GLN A 127 1.897 9.978 0.944 1.00 0.00 O ATOM 1993 CB GLN A 127 0.451 8.647 3.735 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.761 9.069 4.550 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.059 8.527 3.985 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.285 7.318 3.967 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.917 9.422 3.511 1.00 0.00 N ATOM 0 H GLN A 127 -0.265 6.760 2.155 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.332 9.688 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.689 7.608 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.310 9.246 4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.643 8.722 5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.810 10.157 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.689 10.416 3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.804 9.116 3.112 1.00 0.00 H new ATOM 2006 N GLU A 128 2.424 7.896 1.613 1.00 0.00 N ATOM 2007 CA GLU A 128 3.744 7.927 0.993 1.00 0.00 C ATOM 2008 C GLU A 128 4.150 6.555 0.462 1.00 0.00 C ATOM 2009 O GLU A 128 3.659 5.519 0.920 1.00 0.00 O ATOM 2010 CB GLU A 128 4.795 8.425 1.991 1.00 0.00 C ATOM 2011 CG GLU A 128 4.287 9.503 2.936 1.00 0.00 C ATOM 2012 CD GLU A 128 4.138 10.850 2.256 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.844 11.092 1.255 1.00 0.00 O1- ATOM 2014 OE2 GLU A 128 3.315 11.664 2.726 1.00 0.00 O ATOM 0 H GLU A 128 2.201 7.026 2.096 1.00 0.00 H new ATOM 0 HA GLU A 128 3.690 8.616 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.153 7.580 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.651 8.814 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.324 9.198 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.975 9.598 3.776 1.00 0.00 H new ATOM 2021 N PHE A 129 5.061 6.567 -0.507 1.00 0.00 N ATOM 2022 CA PHE A 129 5.565 5.345 -1.120 1.00 0.00 C ATOM 2023 C PHE A 129 7.075 5.439 -1.317 1.00 0.00 C ATOM 2024 O PHE A 129 7.552 6.201 -2.158 1.00 0.00 O ATOM 2025 CB PHE A 129 4.876 5.107 -2.466 1.00 0.00 C ATOM 2026 CG PHE A 129 4.861 3.667 -2.895 1.00 0.00 C ATOM 2027 CD1 PHE A 129 5.918 3.132 -3.613 1.00 0.00 C ATOM 2028 CD2 PHE A 129 3.786 2.850 -2.583 1.00 0.00 C ATOM 2029 CE1 PHE A 129 5.904 1.809 -4.012 1.00 0.00 C ATOM 2030 CE2 PHE A 129 3.766 1.526 -2.980 1.00 0.00 C ATOM 2031 CZ PHE A 129 4.826 1.005 -3.696 1.00 0.00 C ATOM 0 H PHE A 129 5.468 7.421 -0.887 1.00 0.00 H new ATOM 0 HA PHE A 129 5.347 4.507 -0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.850 5.469 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.379 5.699 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 129 6.763 3.756 -3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 129 2.954 3.252 -2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.735 1.404 -4.570 1.00 0.00 H new ATOM 0 HE2 PHE A 129 2.922 0.900 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.812 -0.029 -4.008 1.00 0.00 H new ATOM 2041 N THR A 130 7.823 4.672 -0.532 1.00 0.00 N ATOM 2042 CA THR A 130 9.280 4.685 -0.620 1.00 0.00 C ATOM 2043 C THR A 130 9.789 3.512 -1.448 1.00 0.00 C ATOM 2044 O THR A 130 9.156 2.460 -1.506 1.00 0.00 O ATOM 2045 CB THR A 130 9.895 4.641 0.780 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.790 3.341 1.333 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.248 5.606 1.750 1.00 0.00 C ATOM 0 H THR A 130 7.447 4.035 0.170 1.00 0.00 H new ATOM 0 HA THR A 130 9.580 5.609 -1.114 1.00 0.00 H new ATOM 0 HB THR A 130 10.937 4.931 0.646 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.190 3.333 2.227 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.732 5.523 2.723 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.356 6.624 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.189 5.367 1.850 1.00 0.00 H new ATOM 2055 N TYR A 131 10.938 3.702 -2.090 1.00 0.00 N ATOM 2056 CA TYR A 131 11.532 2.658 -2.917 1.00 0.00 C ATOM 2057 C TYR A 131 12.816 2.129 -2.286 1.00 0.00 C ATOM 2058 O TYR A 131 13.830 2.825 -2.240 1.00 0.00 O ATOM 2059 CB TYR A 131 11.823 3.195 -4.320 1.00 0.00 C ATOM 2060 CG TYR A 131 12.770 4.373 -4.334 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.315 5.658 -4.069 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.120 4.200 -4.613 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.177 6.738 -4.081 1.00 0.00 C ATOM 2064 CE2 TYR A 131 14.989 5.275 -4.626 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.513 6.541 -4.360 1.00 0.00 C ATOM 2066 OH TYR A 131 15.375 7.613 -4.373 1.00 0.00 O ATOM 0 H TYR A 131 11.475 4.568 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 131 10.819 1.836 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.245 2.393 -4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 131 10.884 3.489 -4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.269 5.816 -3.850 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.497 3.210 -4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.806 7.731 -3.873 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.036 5.124 -4.844 1.00 0.00 H new ATOM 0 HH TYR A 131 16.280 7.303 -4.586 1.00 0.00 H new ATOM 2076 N LEU A 132 12.765 0.891 -1.803 1.00 0.00 N ATOM 2077 CA LEU A 132 13.924 0.267 -1.176 1.00 0.00 C ATOM 2078 C LEU A 132 14.800 -0.423 -2.217 1.00 0.00 C ATOM 2079 O LEU A 132 14.599 -0.256 -3.420 1.00 0.00 O ATOM 2080 CB LEU A 132 13.478 -0.745 -0.117 1.00 0.00 C ATOM 2081 CG LEU A 132 12.242 -0.340 0.690 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.956 -1.365 1.777 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.429 1.043 1.294 1.00 0.00 C ATOM 0 H LEU A 132 11.934 0.301 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 132 14.509 1.051 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.276 -1.696 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.305 -0.913 0.574 1.00 0.00 H new ATOM 0 HG LEU A 132 11.386 -0.307 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.074 -1.061 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.777 -2.339 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.811 -1.431 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.540 1.314 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.296 1.037 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.585 1.770 0.497 1.00 0.00 H new ATOM 2095 N GLY A 133 15.772 -1.197 -1.746 1.00 0.00 N ATOM 2096 CA GLY A 133 16.663 -1.900 -2.649 1.00 0.00 C ATOM 2097 C GLY A 133 15.993 -3.080 -3.324 1.00 0.00 C ATOM 2098 O GLY A 133 15.586 -2.993 -4.483 1.00 0.00 O ATOM 0 H GLY A 133 15.958 -1.350 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.025 -1.208 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.535 -2.249 -2.095 1.00 0.00 H new ATOM 2102 N ASP A 134 15.877 -4.188 -2.598 1.00 0.00 N ATOM 2103 CA ASP A 134 15.251 -5.391 -3.134 1.00 0.00 C ATOM 2104 C ASP A 134 14.958 -6.393 -2.022 1.00 0.00 C ATOM 2105 O ASP A 134 15.672 -6.451 -1.021 1.00 0.00 O ATOM 2106 CB ASP A 134 16.152 -6.033 -4.190 1.00 0.00 C ATOM 2107 CG ASP A 134 17.493 -6.459 -3.625 1.00 0.00 C ATOM 2108 OD1 ASP A 134 17.518 -7.392 -2.795 1.00 0.00 O1- ATOM 2109 OD2 ASP A 134 18.518 -5.859 -4.011 1.00 0.00 O ATOM 0 H ASP A 134 16.208 -4.277 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 134 14.307 -5.104 -3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.648 -6.901 -4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.312 -5.327 -5.005 1.00 0.00 H new ATOM 2114 N ALA A 135 13.903 -7.181 -2.205 1.00 0.00 N ATOM 2115 CA ALA A 135 13.516 -8.180 -1.218 1.00 0.00 C ATOM 2116 C ALA A 135 14.164 -9.528 -1.518 1.00 0.00 C ATOM 2117 O ALA A 135 14.090 -9.973 -2.683 1.00 0.00 O ATOM 2118 CB ALA A 135 12.002 -8.319 -1.174 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.740 -10.127 -0.586 1.00 0.00 O ATOM 0 H ALA A 135 13.302 -7.146 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 135 13.868 -7.846 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.727 -9.069 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.556 -7.361 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.636 -8.627 -2.154 1.00 0.00 H new