USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 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 69 TYR OH : rot -130:sc= 0.625 USER MOD Set 1.2: A 75 THR OG1 : rot 144:sc= 2.06 USER MOD Set 2.1: A 30 SER OG : rot 146:sc= 0.206 USER MOD Set 2.2: A 31 GLN : amide:sc= -0.489! C(o=-0.28!,f=-2.9!) USER MOD Set 3.1: A 22 HIS :FLIP no HD1:sc= -0.0377 F(o=0.61,f=2.3) USER MOD Set 3.2: A 59 SER OG : rot -84:sc= -0.0437! USER MOD Set 3.3: A 64 LYS NZ :NH3+ -172:sc= 2.36 (180deg=0.799) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 27 SER OG : rot -140:sc= -0.145 USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -0.0178 (180deg=-0.217) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.0364 (180deg=-0.311) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.131 F(o=-2!,f=-0.13) USER MOD Single : A 62 GLN : amide:sc= -2.85! C(o=-2.8!,f=-8.3!) USER MOD Single : A 73 GLN :FLIP amide:sc=-0.00753 F(o=-1,f=-0.0075) USER MOD Single : A 76 ASN : amide:sc= -0.914! X(o=-0.91!,f=-0.69) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.51! C(o=-5.7!,f=-1.5!) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.17 F(o=-4!,f=-0.17) USER MOD Single : A 88 THR OG1 : rot -9:sc= 1.88 USER MOD Single : A 93 ASN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.389 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.852 -12.060 -1.550 1.00 0.00 N ATOM 2 CA GLY A 15 3.613 -12.360 -2.765 1.00 0.00 C ATOM 3 C GLY A 15 4.989 -11.726 -2.724 1.00 0.00 C ATOM 4 O GLY A 15 5.736 -11.771 -3.695 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.711 -13.440 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.069 -11.997 -3.637 1.00 0.00 H new ATOM 8 N LEU A 16 5.355 -11.169 -1.577 1.00 0.00 N ATOM 9 CA LEU A 16 6.569 -10.432 -1.463 1.00 0.00 C ATOM 10 C LEU A 16 7.128 -10.456 -0.063 1.00 0.00 C ATOM 11 O LEU A 16 6.596 -11.120 0.814 1.00 0.00 O ATOM 12 CB LEU A 16 6.429 -8.976 -1.971 1.00 0.00 C ATOM 13 CG LEU A 16 5.180 -8.126 -1.633 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.686 -8.324 -0.232 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.533 -6.666 -1.814 1.00 0.00 C ATOM 0 H LEU A 16 4.811 -11.225 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 16 7.282 -10.940 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.297 -8.426 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.507 -9.009 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 16 4.382 -8.445 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.809 -7.698 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.419 -9.370 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.470 -8.047 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.665 -6.050 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.354 -6.405 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.835 -6.490 -2.846 1.00 0.00 H new ATOM 27 N ARG A 17 8.174 -9.694 0.136 1.00 0.00 N ATOM 28 CA ARG A 17 8.841 -9.628 1.406 1.00 0.00 C ATOM 29 C ARG A 17 8.231 -8.562 2.282 1.00 0.00 C ATOM 30 O ARG A 17 8.145 -8.750 3.504 1.00 0.00 O ATOM 31 CB ARG A 17 10.332 -9.377 1.237 1.00 0.00 C ATOM 32 CG ARG A 17 11.071 -10.494 0.533 1.00 0.00 C ATOM 33 CD ARG A 17 12.550 -10.183 0.421 1.00 0.00 C ATOM 34 NE ARG A 17 13.161 -9.931 1.730 1.00 0.00 N ATOM 35 CZ ARG A 17 14.389 -9.436 1.935 1.00 0.00 C ATOM 36 NH1 ARG A 17 15.242 -9.302 0.914 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.760 -9.113 3.168 1.00 0.00 N ATOM 0 H ARG A 17 8.586 -9.100 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 17 8.711 -10.595 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.473 -8.453 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.777 -9.224 2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.933 -11.427 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.651 -10.642 -0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.060 -11.017 -0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.689 -9.311 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 17 12.603 -10.151 2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.959 -9.577 -0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.176 -8.925 1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.113 -9.243 3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.692 -8.735 3.338 1.00 0.00 H new ATOM 51 N GLU A 18 7.795 -7.435 1.682 1.00 0.00 N ATOM 52 CA GLU A 18 7.179 -6.369 2.520 1.00 0.00 C ATOM 53 C GLU A 18 6.410 -5.292 1.757 1.00 0.00 C ATOM 54 O GLU A 18 6.777 -4.939 0.633 1.00 0.00 O ATOM 55 CB GLU A 18 8.221 -5.660 3.418 1.00 0.00 C ATOM 56 CG GLU A 18 9.433 -5.056 2.715 1.00 0.00 C ATOM 57 CD GLU A 18 10.400 -4.413 3.677 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.942 -5.092 4.561 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.590 -3.192 3.609 1.00 0.00 O ATOM 0 H GLU A 18 7.849 -7.238 0.683 1.00 0.00 H new ATOM 0 HA GLU A 18 6.456 -6.924 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.714 -4.865 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.578 -6.378 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.949 -5.835 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.096 -4.312 1.993 1.00 0.00 H new ATOM 66 N ILE A 19 5.318 -4.813 2.380 1.00 0.00 N ATOM 67 CA ILE A 19 4.610 -3.602 1.957 1.00 0.00 C ATOM 68 C ILE A 19 4.555 -2.651 3.128 1.00 0.00 C ATOM 69 O ILE A 19 4.121 -3.011 4.233 1.00 0.00 O ATOM 70 CB ILE A 19 3.164 -3.874 1.438 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.180 -4.430 0.030 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.245 -2.636 1.527 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.517 -3.418 -1.036 1.00 0.00 C ATOM 0 H ILE A 19 4.903 -5.262 3.196 1.00 0.00 H new ATOM 0 HA ILE A 19 5.160 -3.177 1.118 1.00 0.00 H new ATOM 0 HB ILE A 19 2.741 -4.626 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.903 -5.244 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.202 -4.859 -0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.254 -2.891 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.167 -2.314 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.664 -1.828 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.506 -3.901 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.781 -2.614 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.508 -3.006 -0.846 1.00 0.00 H new ATOM 85 N ARG A 20 5.012 -1.472 2.912 1.00 0.00 N ATOM 86 CA ARG A 20 4.997 -0.464 3.917 1.00 0.00 C ATOM 87 C ARG A 20 4.354 0.761 3.346 1.00 0.00 C ATOM 88 O ARG A 20 4.936 1.460 2.514 1.00 0.00 O ATOM 89 CB ARG A 20 6.409 -0.146 4.428 1.00 0.00 C ATOM 90 CG ARG A 20 7.161 -1.365 4.915 1.00 0.00 C ATOM 91 CD ARG A 20 8.528 -1.028 5.465 1.00 0.00 C ATOM 92 NE ARG A 20 9.279 -2.252 5.728 1.00 0.00 N ATOM 93 CZ ARG A 20 9.348 -2.882 6.897 1.00 0.00 C ATOM 94 NH1 ARG A 20 8.949 -2.271 8.006 1.00 0.00 N ATOM 95 NH2 ARG A 20 9.887 -4.095 6.964 1.00 0.00 N ATOM 0 H ARG A 20 5.413 -1.172 2.023 1.00 0.00 H new ATOM 0 HA ARG A 20 4.428 -0.825 4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.979 0.327 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.339 0.577 5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.576 -1.863 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.269 -2.072 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.071 -0.405 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.427 -0.450 6.384 1.00 0.00 H new ATOM 0 HE ARG A 20 9.795 -2.659 4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.589 -1.318 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.002 -2.755 8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.247 -4.541 6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.941 -4.580 7.860 1.00 0.00 H new ATOM 109 N ILE A 21 3.156 1.007 3.729 1.00 0.00 N ATOM 110 CA ILE A 21 2.490 2.177 3.274 1.00 0.00 C ATOM 111 C ILE A 21 3.015 3.298 4.041 1.00 0.00 C ATOM 112 O ILE A 21 3.018 3.256 5.233 1.00 0.00 O ATOM 113 CB ILE A 21 1.000 2.205 3.530 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.505 1.010 4.342 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.244 2.365 2.223 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.878 1.227 4.883 1.00 0.00 C ATOM 0 H ILE A 21 2.613 0.415 4.357 1.00 0.00 H new ATOM 0 HA ILE A 21 2.656 2.214 2.197 1.00 0.00 H new ATOM 0 HB ILE A 21 0.796 3.075 4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.512 0.118 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.192 0.824 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.827 2.384 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.540 3.298 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.476 1.529 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.187 0.351 5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.881 2.102 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.571 1.385 4.057 1.00 0.00 H new ATOM 128 N HIS A 22 3.464 4.265 3.399 1.00 0.00 N ATOM 129 CA HIS A 22 3.906 5.419 4.093 1.00 0.00 C ATOM 130 C HIS A 22 2.750 6.355 3.991 1.00 0.00 C ATOM 131 O HIS A 22 2.345 6.644 2.872 1.00 0.00 O ATOM 132 CB HIS A 22 5.136 6.023 3.405 1.00 0.00 C ATOM 133 CG HIS A 22 6.321 5.105 3.250 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.762 4.082 4.021 1.00 0.00 N flip ATOM 135 CD2 HIS A 22 7.226 5.198 2.200 1.00 0.00 C flip ATOM 136 CE1 HIS A 22 7.889 3.591 3.436 1.00 0.00 C flip ATOM 137 NE2 HIS A 22 8.146 4.275 2.348 1.00 0.00 N flip ATOM 0 H HIS A 22 3.547 4.306 2.383 1.00 0.00 H new ATOM 0 HA HIS A 22 4.197 5.207 5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.840 6.372 2.416 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.451 6.899 3.971 1.00 0.00 H new ATOM 0 HD2 HIS A 22 7.180 5.914 1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.479 2.767 3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.933 4.116 1.719 1.00 0.00 H new ATOM 146 N LEU A 23 2.185 6.799 5.104 1.00 0.00 N ATOM 147 CA LEU A 23 1.006 7.627 5.019 1.00 0.00 C ATOM 148 C LEU A 23 1.265 9.083 5.390 1.00 0.00 C ATOM 149 O LEU A 23 1.828 9.857 4.589 1.00 0.00 O ATOM 150 CB LEU A 23 -0.167 7.040 5.832 1.00 0.00 C ATOM 151 CG LEU A 23 -1.494 7.818 5.763 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.019 7.882 4.337 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.519 7.207 6.697 1.00 0.00 C ATOM 0 H LEU A 23 2.517 6.604 6.049 1.00 0.00 H new ATOM 0 HA LEU A 23 0.719 7.626 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.348 6.022 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.138 6.974 6.876 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.305 8.841 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.957 8.437 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.288 8.383 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.189 6.871 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.450 7.770 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.701 6.172 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.144 7.239 7.720 1.00 0.00 H new ATOM 165 N CYS A 24 0.932 9.401 6.625 1.00 0.00 N ATOM 166 CA CYS A 24 0.984 10.750 7.202 1.00 0.00 C ATOM 167 C CYS A 24 -0.159 11.620 6.665 1.00 0.00 C ATOM 168 O CYS A 24 -0.925 11.205 5.797 1.00 0.00 O ATOM 169 CB CYS A 24 2.352 11.412 6.929 1.00 0.00 C ATOM 170 SG CYS A 24 2.661 13.064 7.668 1.00 0.00 S ATOM 0 H CYS A 24 0.602 8.703 7.291 1.00 0.00 H new ATOM 0 HA CYS A 24 0.861 10.659 8.281 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.129 10.735 7.283 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.473 11.499 5.849 1.00 0.00 H new ATOM 175 N GLN A 25 -0.317 12.766 7.258 1.00 0.00 N ATOM 176 CA GLN A 25 -1.176 13.804 6.761 1.00 0.00 C ATOM 177 C GLN A 25 -0.312 15.037 6.605 1.00 0.00 C ATOM 178 O GLN A 25 0.096 15.662 7.597 1.00 0.00 O ATOM 179 CB GLN A 25 -2.402 14.050 7.659 1.00 0.00 C ATOM 180 CG GLN A 25 -2.113 14.220 9.144 1.00 0.00 C ATOM 181 CD GLN A 25 -3.330 14.698 9.897 1.00 0.00 C ATOM 182 OE1 GLN A 25 -4.469 14.436 9.502 1.00 0.00 O ATOM 183 NE2 GLN A 25 -3.120 15.394 10.978 1.00 0.00 N ATOM 0 H GLN A 25 0.160 13.013 8.125 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.608 13.512 5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.915 14.943 7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.092 13.215 7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.777 13.271 9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.299 14.933 9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.166 15.594 11.279 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.910 15.739 11.524 1.00 0.00 H new ATOM 192 N ARG A 26 0.028 15.353 5.380 1.00 0.00 N ATOM 193 CA ARG A 26 1.023 16.374 5.146 1.00 0.00 C ATOM 194 C ARG A 26 0.828 17.003 3.760 1.00 0.00 C ATOM 195 O ARG A 26 0.605 18.200 3.641 1.00 0.00 O ATOM 196 CB ARG A 26 2.400 15.676 5.270 1.00 0.00 C ATOM 197 CG ARG A 26 3.627 16.547 5.507 1.00 0.00 C ATOM 198 CD ARG A 26 4.017 17.388 4.321 1.00 0.00 C ATOM 199 NE ARG A 26 5.353 17.942 4.502 1.00 0.00 N ATOM 200 CZ ARG A 26 6.282 17.976 3.552 1.00 0.00 C ATOM 201 NH1 ARG A 26 5.954 17.685 2.307 1.00 0.00 N ATOM 202 NH2 ARG A 26 7.534 18.309 3.850 1.00 0.00 N ATOM 0 H ARG A 26 -0.362 14.926 4.540 1.00 0.00 H new ATOM 0 HA ARG A 26 0.943 17.188 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.338 14.958 6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.568 15.105 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.437 17.202 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.467 15.908 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.988 16.784 3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.297 18.196 4.189 1.00 0.00 H new ATOM 0 HE ARG A 26 5.590 18.328 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.992 17.436 2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.663 17.709 1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.785 18.540 4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.243 18.334 3.117 1.00 0.00 H new ATOM 216 N SER A 27 0.898 16.196 2.739 1.00 0.00 N ATOM 217 CA SER A 27 0.794 16.659 1.372 1.00 0.00 C ATOM 218 C SER A 27 -0.380 15.931 0.661 1.00 0.00 C ATOM 219 O SER A 27 -1.097 15.198 1.330 1.00 0.00 O ATOM 220 CB SER A 27 2.125 16.378 0.681 1.00 0.00 C ATOM 221 OG SER A 27 3.209 17.083 1.278 1.00 0.00 O ATOM 0 H SER A 27 1.030 15.188 2.826 1.00 0.00 H new ATOM 0 HA SER A 27 0.587 17.728 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.329 15.308 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.051 16.655 -0.370 1.00 0.00 H new ATOM 0 HG SER A 27 3.809 17.414 0.578 1.00 0.00 H new ATOM 227 N PRO A 28 -0.642 16.214 -0.668 1.00 0.00 N ATOM 228 CA PRO A 28 -1.658 15.543 -1.501 1.00 0.00 C ATOM 229 C PRO A 28 -2.019 14.096 -1.104 1.00 0.00 C ATOM 230 O PRO A 28 -1.182 13.175 -1.167 1.00 0.00 O ATOM 231 CB PRO A 28 -0.988 15.569 -2.862 1.00 0.00 C ATOM 232 CG PRO A 28 -0.315 16.901 -2.905 1.00 0.00 C ATOM 233 CD PRO A 28 -0.015 17.292 -1.472 1.00 0.00 C ATOM 0 HA PRO A 28 -2.623 16.044 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.271 14.755 -2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.715 15.462 -3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.603 16.851 -3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.957 17.642 -3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.058 17.352 -1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.435 18.268 -1.228 1.00 0.00 H new ATOM 241 N GLY A 29 -3.274 13.916 -0.733 1.00 0.00 N ATOM 242 CA GLY A 29 -3.775 12.637 -0.307 1.00 0.00 C ATOM 243 C GLY A 29 -5.023 12.266 -1.059 1.00 0.00 C ATOM 244 O GLY A 29 -5.474 13.032 -1.914 1.00 0.00 O ATOM 0 H GLY A 29 -3.971 14.661 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.012 11.874 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.985 12.663 0.762 1.00 0.00 H new ATOM 248 N SER A 30 -5.592 11.114 -0.763 1.00 0.00 N ATOM 249 CA SER A 30 -6.739 10.652 -1.484 1.00 0.00 C ATOM 250 C SER A 30 -7.736 9.996 -0.571 1.00 0.00 C ATOM 251 O SER A 30 -7.429 9.599 0.569 1.00 0.00 O ATOM 252 CB SER A 30 -6.317 9.668 -2.564 1.00 0.00 C ATOM 253 OG SER A 30 -7.393 9.241 -3.392 1.00 0.00 O ATOM 0 H SER A 30 -5.271 10.487 -0.025 1.00 0.00 H new ATOM 0 HA SER A 30 -7.213 11.520 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.551 10.130 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.863 8.796 -2.093 1.00 0.00 H new ATOM 0 HG SER A 30 -7.065 9.092 -4.303 1.00 0.00 H new ATOM 259 N GLN A 31 -8.882 9.813 -1.121 1.00 0.00 N ATOM 260 CA GLN A 31 -10.005 9.223 -0.470 1.00 0.00 C ATOM 261 C GLN A 31 -9.920 7.752 -0.718 1.00 0.00 C ATOM 262 O GLN A 31 -10.284 6.963 0.118 1.00 0.00 O ATOM 263 CB GLN A 31 -11.360 9.798 -0.993 1.00 0.00 C ATOM 264 CG GLN A 31 -11.773 9.379 -2.437 1.00 0.00 C ATOM 265 CD GLN A 31 -10.828 9.855 -3.536 1.00 0.00 C ATOM 266 OE1 GLN A 31 -10.218 10.902 -3.431 1.00 0.00 O ATOM 267 NE2 GLN A 31 -10.654 9.063 -4.565 1.00 0.00 N ATOM 0 H GLN A 31 -9.076 10.083 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.979 9.449 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.150 9.491 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.309 10.886 -0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.839 8.292 -2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.771 9.767 -2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.177 8.190 -4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.995 9.319 -5.300 1.00 0.00 H new ATOM 276 N GLY A 32 -9.364 7.397 -1.882 1.00 0.00 N ATOM 277 CA GLY A 32 -9.154 6.024 -2.210 1.00 0.00 C ATOM 278 C GLY A 32 -8.090 5.481 -1.335 1.00 0.00 C ATOM 279 O GLY A 32 -8.148 4.325 -0.886 1.00 0.00 O ATOM 0 H GLY A 32 -9.059 8.057 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.077 5.459 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.868 5.926 -3.257 1.00 0.00 H new ATOM 283 N VAL A 33 -7.150 6.358 -1.015 1.00 0.00 N ATOM 284 CA VAL A 33 -6.078 5.994 -0.133 1.00 0.00 C ATOM 285 C VAL A 33 -6.656 5.790 1.245 1.00 0.00 C ATOM 286 O VAL A 33 -6.570 4.721 1.786 1.00 0.00 O ATOM 287 CB VAL A 33 -4.974 7.065 -0.087 1.00 0.00 C ATOM 288 CG1 VAL A 33 -3.893 6.676 0.898 1.00 0.00 C ATOM 289 CG2 VAL A 33 -4.376 7.251 -1.461 1.00 0.00 C ATOM 0 H VAL A 33 -7.117 7.319 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.614 5.079 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.419 8.005 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.122 7.446 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.327 6.574 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.450 5.727 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.596 8.011 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.947 6.309 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.153 7.568 -2.156 1.00 0.00 H new ATOM 299 N ARG A 34 -7.261 6.849 1.767 1.00 0.00 N ATOM 300 CA ARG A 34 -7.980 6.887 3.045 1.00 0.00 C ATOM 301 C ARG A 34 -8.847 5.644 3.226 1.00 0.00 C ATOM 302 O ARG A 34 -8.800 4.979 4.274 1.00 0.00 O ATOM 303 CB ARG A 34 -8.891 8.089 3.024 1.00 0.00 C ATOM 304 CG ARG A 34 -9.272 8.598 4.383 1.00 0.00 C ATOM 305 CD ARG A 34 -10.195 9.792 4.281 1.00 0.00 C ATOM 306 NE ARG A 34 -10.350 10.484 5.565 1.00 0.00 N ATOM 307 CZ ARG A 34 -11.485 10.539 6.282 1.00 0.00 C ATOM 308 NH1 ARG A 34 -12.521 9.756 5.982 1.00 0.00 N ATOM 309 NH2 ARG A 34 -11.557 11.338 7.324 1.00 0.00 N ATOM 0 H ARG A 34 -7.267 7.751 1.292 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.256 6.933 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.402 8.892 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.798 7.833 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.761 7.804 4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.374 8.875 4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.804 10.489 3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.172 9.464 3.927 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.532 10.961 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.458 9.105 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.377 9.808 6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.754 11.911 7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.416 11.385 7.873 1.00 0.00 H new ATOM 323 N ASP A 35 -9.621 5.340 2.196 1.00 0.00 N ATOM 324 CA ASP A 35 -10.481 4.163 2.168 1.00 0.00 C ATOM 325 C ASP A 35 -9.697 2.962 2.421 1.00 0.00 C ATOM 326 O ASP A 35 -10.043 2.188 3.296 1.00 0.00 O ATOM 327 CB ASP A 35 -11.213 3.971 0.841 1.00 0.00 C ATOM 328 CG ASP A 35 -12.465 4.774 0.626 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.120 5.167 1.590 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.838 5.004 -0.547 1.00 0.00 O ATOM 0 H ASP A 35 -9.672 5.906 1.349 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.227 4.328 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.518 4.206 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.468 2.916 0.745 1.00 0.00 H new ATOM 335 N PHE A 36 -8.656 2.786 1.653 1.00 0.00 N ATOM 336 CA PHE A 36 -7.751 1.704 1.859 1.00 0.00 C ATOM 337 C PHE A 36 -7.309 1.691 3.300 1.00 0.00 C ATOM 338 O PHE A 36 -7.638 0.787 4.015 1.00 0.00 O ATOM 339 CB PHE A 36 -6.583 1.777 0.844 1.00 0.00 C ATOM 340 CG PHE A 36 -5.239 1.233 1.277 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.409 2.004 2.069 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.773 0.005 0.834 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.167 1.557 2.418 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.517 -0.428 1.170 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.715 0.342 1.960 1.00 0.00 C ATOM 0 H PHE A 36 -8.417 3.393 0.868 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.244 0.750 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.887 1.242 -0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.447 2.822 0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.746 2.970 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.406 -0.617 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.538 2.160 3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.161 -1.381 0.808 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.726 -0.002 2.225 1.00 0.00 H new ATOM 355 N ILE A 37 -6.763 2.790 3.711 1.00 0.00 N ATOM 356 CA ILE A 37 -6.157 2.986 5.036 1.00 0.00 C ATOM 357 C ILE A 37 -7.106 2.509 6.171 1.00 0.00 C ATOM 358 O ILE A 37 -6.674 1.875 7.124 1.00 0.00 O ATOM 359 CB ILE A 37 -5.867 4.500 5.343 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.103 5.295 4.261 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.218 4.705 6.705 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.779 4.748 3.847 1.00 0.00 C ATOM 0 H ILE A 37 -6.713 3.624 3.126 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.233 2.409 5.009 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.870 4.928 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.736 5.363 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.954 6.311 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.039 5.768 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.879 4.326 7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.270 4.168 6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.342 5.392 3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.116 4.707 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.910 3.744 3.443 1.00 0.00 H new ATOM 374 N GLU A 38 -8.386 2.840 6.060 1.00 0.00 N ATOM 375 CA GLU A 38 -9.294 2.614 7.172 1.00 0.00 C ATOM 376 C GLU A 38 -10.241 1.473 6.927 1.00 0.00 C ATOM 377 O GLU A 38 -10.328 0.515 7.690 1.00 0.00 O ATOM 378 CB GLU A 38 -10.020 3.906 7.603 1.00 0.00 C ATOM 379 CG GLU A 38 -10.911 4.540 6.550 1.00 0.00 C ATOM 380 CD GLU A 38 -11.442 5.862 6.984 1.00 0.00 C ATOM 381 OE1 GLU A 38 -12.442 5.911 7.717 1.00 0.00 O ATOM 382 OE2 GLU A 38 -10.865 6.890 6.595 1.00 0.00 O ATOM 0 H GLU A 38 -8.810 3.256 5.231 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.675 2.310 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.627 3.685 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.272 4.637 7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.347 4.663 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.743 3.871 6.330 1.00 0.00 H new ATOM 389 N LYS A 39 -10.932 1.580 5.831 1.00 0.00 N ATOM 390 CA LYS A 39 -11.997 0.705 5.469 1.00 0.00 C ATOM 391 C LYS A 39 -11.438 -0.570 4.940 1.00 0.00 C ATOM 392 O LYS A 39 -12.003 -1.653 5.136 1.00 0.00 O ATOM 393 CB LYS A 39 -12.797 1.360 4.341 1.00 0.00 C ATOM 394 CG LYS A 39 -14.118 0.680 4.016 1.00 0.00 C ATOM 395 CD LYS A 39 -14.775 1.274 2.775 1.00 0.00 C ATOM 396 CE LYS A 39 -14.070 0.839 1.494 1.00 0.00 C ATOM 397 NZ LYS A 39 -14.238 -0.613 1.235 1.00 0.00 N ATOM 0 H LYS A 39 -10.759 2.310 5.140 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.621 0.512 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.995 2.397 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.182 1.377 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.949 -0.386 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.794 0.776 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.820 0.968 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.764 2.362 2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.466 1.406 0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.008 1.074 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.990 -0.820 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.615 -1.153 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.227 -0.884 1.408 1.00 0.00 H new ATOM 411 N ARG A 40 -10.320 -0.465 4.285 1.00 0.00 N ATOM 412 CA ARG A 40 -9.843 -1.560 3.573 1.00 0.00 C ATOM 413 C ARG A 40 -8.638 -2.175 4.250 1.00 0.00 C ATOM 414 O ARG A 40 -8.298 -3.258 3.933 1.00 0.00 O ATOM 415 CB ARG A 40 -9.546 -1.108 2.146 1.00 0.00 C ATOM 416 CG ARG A 40 -9.173 -2.193 1.186 1.00 0.00 C ATOM 417 CD ARG A 40 -10.310 -3.162 0.951 1.00 0.00 C ATOM 418 NE ARG A 40 -9.973 -4.155 -0.064 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.664 -5.270 -0.311 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.754 -5.567 0.399 1.00 0.00 N ATOM 421 NH2 ARG A 40 -10.273 -6.072 -1.282 1.00 0.00 N ATOM 0 H ARG A 40 -9.740 0.373 4.243 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.596 -2.347 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.424 -0.591 1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.735 -0.380 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.874 -1.749 0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.309 -2.735 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.557 -3.666 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.198 -2.612 0.641 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.142 -3.983 -0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.067 -4.939 1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.274 -6.422 0.201 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.449 -5.838 -1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.794 -6.926 -1.479 1.00 0.00 H new ATOM 435 N TYR A 41 -8.004 -1.457 5.177 1.00 0.00 N ATOM 436 CA TYR A 41 -6.780 -1.971 5.899 1.00 0.00 C ATOM 437 C TYR A 41 -6.849 -3.440 6.315 1.00 0.00 C ATOM 438 O TYR A 41 -6.162 -4.290 5.743 1.00 0.00 O ATOM 439 CB TYR A 41 -6.457 -1.126 7.115 1.00 0.00 C ATOM 440 CG TYR A 41 -5.173 -1.511 7.831 1.00 0.00 C ATOM 441 CD1 TYR A 41 -3.945 -0.998 7.445 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.205 -2.406 8.890 1.00 0.00 C ATOM 443 CE1 TYR A 41 -2.789 -1.371 8.101 1.00 0.00 C ATOM 444 CE2 TYR A 41 -4.073 -2.780 9.543 1.00 0.00 C ATOM 445 CZ TYR A 41 -2.862 -2.265 9.151 1.00 0.00 C ATOM 446 OH TYR A 41 -1.720 -2.654 9.800 1.00 0.00 O ATOM 0 H TYR A 41 -8.294 -0.522 5.463 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.984 -1.892 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.387 -0.083 6.808 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.285 -1.196 7.820 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.892 -0.300 6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.153 -2.816 9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.835 -0.967 7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.126 -3.478 10.365 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.948 -3.285 10.514 1.00 0.00 H new ATOM 456 N VAL A 42 -7.640 -3.714 7.309 1.00 0.00 N ATOM 457 CA VAL A 42 -7.809 -5.055 7.837 1.00 0.00 C ATOM 458 C VAL A 42 -8.274 -6.023 6.733 1.00 0.00 C ATOM 459 O VAL A 42 -7.885 -7.203 6.696 1.00 0.00 O ATOM 460 CB VAL A 42 -8.771 -5.003 9.053 1.00 0.00 C ATOM 461 CG1 VAL A 42 -9.943 -4.096 8.742 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.245 -6.388 9.477 1.00 0.00 C ATOM 0 H VAL A 42 -8.199 -3.009 7.790 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.854 -5.445 8.189 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.218 -4.595 9.899 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.615 -4.063 9.599 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.579 -3.091 8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.480 -4.480 7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.916 -6.297 10.331 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.774 -6.861 8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.385 -6.998 9.754 1.00 0.00 H new ATOM 472 N GLU A 43 -9.007 -5.480 5.793 1.00 0.00 N ATOM 473 CA GLU A 43 -9.486 -6.215 4.661 1.00 0.00 C ATOM 474 C GLU A 43 -8.359 -6.519 3.703 1.00 0.00 C ATOM 475 O GLU A 43 -8.385 -7.538 3.135 1.00 0.00 O ATOM 476 CB GLU A 43 -10.596 -5.457 3.935 1.00 0.00 C ATOM 477 CG GLU A 43 -11.817 -5.141 4.777 1.00 0.00 C ATOM 478 CD GLU A 43 -12.549 -6.373 5.220 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.253 -6.996 4.390 1.00 0.00 O ATOM 480 OE2 GLU A 43 -12.454 -6.735 6.389 1.00 0.00 O ATOM 0 H GLU A 43 -9.289 -4.500 5.798 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.897 -7.154 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.186 -4.522 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.911 -6.044 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.511 -4.570 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.494 -4.507 4.204 1.00 0.00 H new ATOM 487 N LEU A 44 -7.342 -5.655 3.537 1.00 0.00 N ATOM 488 CA LEU A 44 -6.301 -6.025 2.594 1.00 0.00 C ATOM 489 C LEU A 44 -5.325 -6.935 3.263 1.00 0.00 C ATOM 490 O LEU A 44 -4.665 -7.744 2.621 1.00 0.00 O ATOM 491 CB LEU A 44 -5.596 -4.839 1.916 1.00 0.00 C ATOM 492 CG LEU A 44 -4.623 -3.982 2.707 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.403 -3.711 1.859 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.260 -2.674 3.066 1.00 0.00 C ATOM 0 H LEU A 44 -7.229 -4.759 4.011 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.795 -6.546 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.056 -5.232 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.372 -4.177 1.531 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.344 -4.510 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.699 -3.096 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.928 -4.655 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.700 -3.186 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.553 -2.068 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.543 -2.145 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.148 -2.856 3.671 1.00 0.00 H new ATOM 506 N LYS A 45 -5.284 -6.817 4.565 1.00 0.00 N ATOM 507 CA LYS A 45 -4.468 -7.643 5.408 1.00 0.00 C ATOM 508 C LYS A 45 -4.975 -9.078 5.352 1.00 0.00 C ATOM 509 O LYS A 45 -4.190 -10.032 5.328 1.00 0.00 O ATOM 510 CB LYS A 45 -4.505 -7.064 6.821 1.00 0.00 C ATOM 511 CG LYS A 45 -3.650 -7.760 7.850 1.00 0.00 C ATOM 512 CD LYS A 45 -3.679 -6.973 9.141 1.00 0.00 C ATOM 513 CE LYS A 45 -2.894 -7.644 10.243 1.00 0.00 C ATOM 514 NZ LYS A 45 -2.891 -6.821 11.462 1.00 0.00 N ATOM 0 H LYS A 45 -5.832 -6.126 5.078 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.431 -7.657 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.198 -6.019 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.538 -7.076 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.017 -8.772 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.626 -7.849 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.274 -5.977 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.713 -6.844 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.326 -8.621 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.869 -7.815 9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.345 -7.303 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.457 -5.898 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.869 -6.679 11.787 1.00 0.00 H new ATOM 528 N LYS A 46 -6.290 -9.226 5.295 1.00 0.00 N ATOM 529 CA LYS A 46 -6.885 -10.536 5.169 1.00 0.00 C ATOM 530 C LYS A 46 -7.009 -10.919 3.698 1.00 0.00 C ATOM 531 O LYS A 46 -6.998 -12.107 3.356 1.00 0.00 O ATOM 532 CB LYS A 46 -8.272 -10.543 5.814 1.00 0.00 C ATOM 533 CG LYS A 46 -9.328 -9.762 5.037 1.00 0.00 C ATOM 534 CD LYS A 46 -10.431 -9.272 5.963 1.00 0.00 C ATOM 535 CE LYS A 46 -11.238 -10.429 6.524 1.00 0.00 C ATOM 536 NZ LYS A 46 -11.974 -11.148 5.457 1.00 0.00 N ATOM 0 H LYS A 46 -6.958 -8.456 5.334 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.245 -11.259 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.605 -11.575 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.195 -10.127 6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.863 -8.912 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.755 -10.395 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.994 -8.701 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.091 -8.596 5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.572 -11.122 7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.944 -10.055 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.712 -11.743 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.415 -10.459 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.313 -11.747 4.922 1.00 0.00 H new ATOM 550 N ALA A 47 -7.129 -9.911 2.829 1.00 0.00 N ATOM 551 CA ALA A 47 -7.369 -10.149 1.424 1.00 0.00 C ATOM 552 C ALA A 47 -6.158 -10.746 0.771 1.00 0.00 C ATOM 553 O ALA A 47 -6.253 -11.600 -0.106 1.00 0.00 O ATOM 554 CB ALA A 47 -7.736 -8.883 0.660 1.00 0.00 C ATOM 0 H ALA A 47 -7.062 -8.926 3.085 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.213 -10.837 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.904 -9.127 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.644 -8.453 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.923 -8.162 0.739 1.00 0.00 H new ATOM 560 N ASN A 48 -5.022 -10.292 1.225 1.00 0.00 N ATOM 561 CA ASN A 48 -3.762 -10.661 0.710 1.00 0.00 C ATOM 562 C ASN A 48 -2.958 -11.093 1.921 1.00 0.00 C ATOM 563 O ASN A 48 -2.270 -10.303 2.549 1.00 0.00 O ATOM 564 CB ASN A 48 -3.075 -9.473 -0.019 1.00 0.00 C ATOM 565 CG ASN A 48 -3.905 -8.827 -1.146 1.00 0.00 C ATOM 566 OD1 ASN A 48 -3.703 -7.529 -1.388 1.00 0.00 O flip ATOM 567 ND2 ASN A 48 -4.708 -9.478 -1.797 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.963 -9.628 1.997 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.846 -11.454 -0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.833 -8.707 0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.131 -9.822 -0.438 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.846 -10.468 -1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.241 -9.031 -2.543 1.00 0.00 H new ATOM 574 N PRO A 49 -3.153 -12.339 2.326 1.00 0.00 N ATOM 575 CA PRO A 49 -2.565 -12.919 3.545 1.00 0.00 C ATOM 576 C PRO A 49 -1.077 -12.858 3.536 1.00 0.00 C ATOM 577 O PRO A 49 -0.441 -12.438 4.507 1.00 0.00 O ATOM 578 CB PRO A 49 -3.040 -14.369 3.506 1.00 0.00 C ATOM 579 CG PRO A 49 -3.388 -14.581 2.087 1.00 0.00 C ATOM 580 CD PRO A 49 -3.988 -13.301 1.635 1.00 0.00 C ATOM 0 HA PRO A 49 -2.867 -12.381 4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.260 -15.056 3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.899 -14.527 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.505 -14.831 1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.091 -15.406 1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.941 -13.184 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.037 -13.215 1.919 1.00 0.00 H new ATOM 588 N ASP A 50 -0.545 -13.225 2.429 1.00 0.00 N ATOM 589 CA ASP A 50 0.912 -13.235 2.196 1.00 0.00 C ATOM 590 C ASP A 50 1.448 -11.843 1.846 1.00 0.00 C ATOM 591 O ASP A 50 2.519 -11.702 1.239 1.00 0.00 O ATOM 592 CB ASP A 50 1.288 -14.215 1.083 1.00 0.00 C ATOM 593 CG ASP A 50 0.943 -15.634 1.409 1.00 0.00 C ATOM 594 OD1 ASP A 50 1.631 -16.235 2.248 1.00 0.00 O ATOM 595 OD2 ASP A 50 -0.020 -16.180 0.814 1.00 0.00 O ATOM 0 H ASP A 50 -1.090 -13.538 1.626 1.00 0.00 H new ATOM 0 HA ASP A 50 1.371 -13.557 3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.778 -13.925 0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.358 -14.143 0.890 1.00 0.00 H new ATOM 600 N LEU A 51 0.734 -10.826 2.232 1.00 0.00 N ATOM 601 CA LEU A 51 1.148 -9.483 1.972 1.00 0.00 C ATOM 602 C LEU A 51 1.458 -8.790 3.322 1.00 0.00 C ATOM 603 O LEU A 51 0.553 -8.579 4.138 1.00 0.00 O ATOM 604 CB LEU A 51 0.017 -8.751 1.188 1.00 0.00 C ATOM 605 CG LEU A 51 0.336 -7.411 0.485 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.866 -6.894 -0.240 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.811 -6.361 1.422 1.00 0.00 C ATOM 0 H LEU A 51 -0.150 -10.907 2.735 1.00 0.00 H new ATOM 0 HA LEU A 51 2.051 -9.458 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.356 -9.439 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.802 -8.570 1.884 1.00 0.00 H new ATOM 0 HG LEU A 51 1.142 -7.628 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.619 -5.951 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.178 -7.620 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.678 -6.734 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.018 -5.445 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.043 -6.167 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.722 -6.699 1.916 1.00 0.00 H new ATOM 619 N PRO A 52 2.757 -8.569 3.627 1.00 0.00 N ATOM 620 CA PRO A 52 3.189 -7.751 4.777 1.00 0.00 C ATOM 621 C PRO A 52 2.653 -6.359 4.701 1.00 0.00 C ATOM 622 O PRO A 52 2.920 -5.661 3.738 1.00 0.00 O ATOM 623 CB PRO A 52 4.662 -7.631 4.585 1.00 0.00 C ATOM 624 CG PRO A 52 5.057 -8.840 3.850 1.00 0.00 C ATOM 625 CD PRO A 52 3.903 -9.182 2.956 1.00 0.00 C ATOM 0 HA PRO A 52 2.860 -8.199 5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.914 -6.730 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.179 -7.566 5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.961 -8.663 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.274 -9.659 4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.041 -8.782 1.952 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.779 -10.260 2.855 1.00 0.00 H new ATOM 633 N ILE A 53 2.006 -5.936 5.729 1.00 0.00 N ATOM 634 CA ILE A 53 1.331 -4.645 5.721 1.00 0.00 C ATOM 635 C ILE A 53 1.721 -3.819 6.931 1.00 0.00 C ATOM 636 O ILE A 53 1.334 -4.122 8.059 1.00 0.00 O ATOM 637 CB ILE A 53 -0.228 -4.812 5.629 1.00 0.00 C ATOM 638 CG1 ILE A 53 -0.564 -5.555 4.339 1.00 0.00 C ATOM 639 CG2 ILE A 53 -0.945 -3.454 5.659 1.00 0.00 C ATOM 640 CD1 ILE A 53 -2.008 -5.881 4.134 1.00 0.00 C ATOM 0 H ILE A 53 1.918 -6.455 6.603 1.00 0.00 H new ATOM 0 HA ILE A 53 1.657 -4.109 4.829 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.572 -5.380 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.223 -4.954 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.005 -6.484 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.022 -3.610 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.709 -2.938 6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.614 -2.849 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.131 -6.408 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.357 -6.514 4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.590 -4.960 4.115 1.00 0.00 H new ATOM 652 N LEU A 54 2.546 -2.827 6.697 1.00 0.00 N ATOM 653 CA LEU A 54 2.976 -1.908 7.737 1.00 0.00 C ATOM 654 C LEU A 54 2.502 -0.503 7.388 1.00 0.00 C ATOM 655 O LEU A 54 2.783 -0.021 6.294 1.00 0.00 O ATOM 656 CB LEU A 54 4.531 -1.875 7.879 1.00 0.00 C ATOM 657 CG LEU A 54 5.281 -3.157 8.320 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.724 -3.718 9.613 1.00 0.00 C ATOM 659 CD2 LEU A 54 5.332 -4.217 7.220 1.00 0.00 C ATOM 0 H LEU A 54 2.943 -2.629 5.778 1.00 0.00 H new ATOM 0 HA LEU A 54 2.548 -2.251 8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.941 -1.571 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.778 -1.089 8.593 1.00 0.00 H new ATOM 0 HG LEU A 54 6.312 -2.859 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.277 -4.616 9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.822 -2.975 10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.671 -3.967 9.478 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.869 -5.093 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.317 -4.502 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.846 -3.812 6.348 1.00 0.00 H new ATOM 671 N ILE A 55 1.791 0.143 8.290 1.00 0.00 N ATOM 672 CA ILE A 55 1.354 1.518 8.089 1.00 0.00 C ATOM 673 C ILE A 55 2.409 2.449 8.679 1.00 0.00 C ATOM 674 O ILE A 55 2.705 2.425 9.883 1.00 0.00 O ATOM 675 CB ILE A 55 -0.091 1.805 8.673 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.505 3.292 8.527 1.00 0.00 C ATOM 677 CG2 ILE A 55 -0.216 1.369 10.120 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.498 3.814 7.115 1.00 0.00 C ATOM 0 H ILE A 55 1.499 -0.263 9.179 1.00 0.00 H new ATOM 0 HA ILE A 55 1.259 1.701 7.019 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.777 1.207 8.073 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.505 3.418 8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.168 3.903 9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.222 1.585 10.479 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.025 0.298 10.195 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.510 1.910 10.727 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.801 4.861 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.506 3.726 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.194 3.234 6.509 1.00 0.00 H new ATOM 690 N ARG A 56 3.015 3.197 7.824 1.00 0.00 N ATOM 691 CA ARG A 56 4.114 4.063 8.184 1.00 0.00 C ATOM 692 C ARG A 56 3.743 5.535 8.167 1.00 0.00 C ATOM 693 O ARG A 56 2.682 5.928 7.680 1.00 0.00 O ATOM 694 CB ARG A 56 5.348 3.798 7.323 1.00 0.00 C ATOM 695 CG ARG A 56 5.889 2.378 7.438 1.00 0.00 C ATOM 696 CD ARG A 56 6.123 1.979 8.894 1.00 0.00 C ATOM 697 NE ARG A 56 7.065 2.867 9.594 1.00 0.00 N ATOM 698 CZ ARG A 56 7.507 2.676 10.847 1.00 0.00 C ATOM 699 NH1 ARG A 56 6.956 1.738 11.632 1.00 0.00 N ATOM 700 NH2 ARG A 56 8.452 3.471 11.335 1.00 0.00 N ATOM 0 H ARG A 56 2.767 3.234 6.835 1.00 0.00 H new ATOM 0 HA ARG A 56 4.361 3.816 9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.101 3.999 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.133 4.499 7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.187 1.683 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.824 2.299 6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.170 1.982 9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.503 0.958 8.928 1.00 0.00 H new ATOM 0 HE ARG A 56 7.406 3.686 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.193 1.161 11.278 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.300 1.602 12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.836 4.220 10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.794 3.333 12.286 1.00 0.00 H new ATOM 714 N GLU A 57 4.656 6.321 8.646 1.00 0.00 N ATOM 715 CA GLU A 57 4.472 7.719 8.935 1.00 0.00 C ATOM 716 C GLU A 57 5.212 8.633 7.907 1.00 0.00 C ATOM 717 O GLU A 57 5.895 8.131 6.996 1.00 0.00 O ATOM 718 CB GLU A 57 4.922 7.979 10.391 1.00 0.00 C ATOM 719 CG GLU A 57 4.580 9.345 10.953 1.00 0.00 C ATOM 720 CD GLU A 57 3.098 9.608 10.991 1.00 0.00 C ATOM 721 OE1 GLU A 57 2.513 9.918 9.943 1.00 0.00 O ATOM 722 OE2 GLU A 57 2.499 9.535 12.085 1.00 0.00 O ATOM 0 H GLU A 57 5.598 5.994 8.858 1.00 0.00 H new ATOM 0 HA GLU A 57 3.417 7.976 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.472 7.220 11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.002 7.844 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.985 9.429 11.961 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.065 10.112 10.350 1.00 0.00 H new ATOM 729 N CYS A 58 4.928 9.948 8.011 1.00 0.00 N ATOM 730 CA CYS A 58 5.487 11.077 7.209 1.00 0.00 C ATOM 731 C CYS A 58 6.844 10.772 6.583 1.00 0.00 C ATOM 732 O CYS A 58 7.814 10.453 7.275 1.00 0.00 O ATOM 733 CB CYS A 58 5.612 12.315 8.110 1.00 0.00 C ATOM 734 SG CYS A 58 4.096 12.731 9.066 1.00 0.00 S ATOM 0 H CYS A 58 4.257 10.281 8.703 1.00 0.00 H new ATOM 0 HA CYS A 58 4.796 11.251 6.384 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.433 12.157 8.809 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.881 13.171 7.491 1.00 0.00 H new ATOM 739 N SER A 59 6.915 10.895 5.274 1.00 0.00 N ATOM 740 CA SER A 59 8.117 10.527 4.560 1.00 0.00 C ATOM 741 C SER A 59 8.332 11.323 3.260 1.00 0.00 C ATOM 742 O SER A 59 9.446 11.784 2.980 1.00 0.00 O ATOM 743 CB SER A 59 8.069 9.020 4.303 1.00 0.00 C ATOM 744 OG SER A 59 6.695 8.576 4.249 1.00 0.00 O ATOM 0 H SER A 59 6.158 11.245 4.686 1.00 0.00 H new ATOM 0 HA SER A 59 8.978 10.781 5.178 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.574 8.785 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.601 8.490 5.093 1.00 0.00 H new ATOM 0 HG SER A 59 6.370 8.407 5.158 1.00 0.00 H new ATOM 750 N ASP A 60 7.277 11.525 2.491 1.00 0.00 N ATOM 751 CA ASP A 60 7.389 12.175 1.201 1.00 0.00 C ATOM 752 C ASP A 60 6.147 13.000 1.061 1.00 0.00 C ATOM 753 O ASP A 60 5.770 13.666 2.024 1.00 0.00 O ATOM 754 CB ASP A 60 7.438 11.126 0.078 1.00 0.00 C ATOM 755 CG ASP A 60 8.623 10.187 0.104 1.00 0.00 C ATOM 756 OD1 ASP A 60 8.579 9.176 0.836 1.00 0.00 O ATOM 757 OD2 ASP A 60 9.574 10.402 -0.649 1.00 0.00 O ATOM 0 H ASP A 60 6.328 11.246 2.741 1.00 0.00 H new ATOM 0 HA ASP A 60 8.296 12.776 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.526 10.531 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.432 11.646 -0.880 1.00 0.00 H new ATOM 762 N VAL A 61 5.480 12.924 -0.090 1.00 0.00 N ATOM 763 CA VAL A 61 4.212 13.610 -0.283 1.00 0.00 C ATOM 764 C VAL A 61 3.206 13.096 0.749 1.00 0.00 C ATOM 765 O VAL A 61 2.957 13.745 1.771 1.00 0.00 O ATOM 766 CB VAL A 61 3.657 13.414 -1.731 1.00 0.00 C ATOM 767 CG1 VAL A 61 2.309 14.092 -1.909 1.00 0.00 C ATOM 768 CG2 VAL A 61 4.633 13.956 -2.751 1.00 0.00 C ATOM 0 H VAL A 61 5.800 12.393 -0.900 1.00 0.00 H new ATOM 0 HA VAL A 61 4.373 14.679 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 61 3.527 12.343 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.954 13.935 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.593 13.668 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.412 15.161 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.230 13.811 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.791 15.020 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.583 13.428 -2.662 1.00 0.00 H new ATOM 778 N GLN A 62 2.731 11.893 0.562 1.00 0.00 N ATOM 779 CA GLN A 62 1.778 11.345 1.486 1.00 0.00 C ATOM 780 C GLN A 62 1.579 9.837 1.306 1.00 0.00 C ATOM 781 O GLN A 62 2.268 9.101 1.948 1.00 0.00 O ATOM 782 CB GLN A 62 0.445 12.143 1.605 1.00 0.00 C ATOM 783 CG GLN A 62 -0.373 11.738 2.816 1.00 0.00 C ATOM 784 CD GLN A 62 -1.599 12.592 3.036 1.00 0.00 C ATOM 785 OE1 GLN A 62 -1.529 13.640 3.691 1.00 0.00 O ATOM 786 NE2 GLN A 62 -2.729 12.136 2.580 1.00 0.00 N ATOM 0 H GLN A 62 2.986 11.281 -0.213 1.00 0.00 H new ATOM 0 HA GLN A 62 2.238 11.475 2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.668 13.208 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.148 11.989 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.681 10.698 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.258 11.789 3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.750 11.269 2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.594 12.646 2.759 1.00 0.00 H new ATOM 795 N PRO A 63 0.743 9.334 0.374 1.00 0.00 N ATOM 796 CA PRO A 63 0.456 7.917 0.307 1.00 0.00 C ATOM 797 C PRO A 63 1.374 7.156 -0.639 1.00 0.00 C ATOM 798 O PRO A 63 1.072 7.031 -1.800 1.00 0.00 O ATOM 799 CB PRO A 63 -0.967 7.891 -0.239 1.00 0.00 C ATOM 800 CG PRO A 63 -1.150 9.184 -0.997 1.00 0.00 C ATOM 801 CD PRO A 63 0.049 10.051 -0.709 1.00 0.00 C ATOM 0 HA PRO A 63 0.593 7.437 1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.118 7.032 -0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.693 7.808 0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.237 8.993 -2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.068 9.684 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.684 10.162 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.246 11.054 -0.401 1.00 0.00 H new ATOM 809 N LYS A 64 2.487 6.666 -0.160 1.00 0.00 N ATOM 810 CA LYS A 64 3.403 5.922 -1.043 1.00 0.00 C ATOM 811 C LYS A 64 3.310 4.478 -0.702 1.00 0.00 C ATOM 812 O LYS A 64 3.130 4.113 0.474 1.00 0.00 O ATOM 813 CB LYS A 64 4.905 6.320 -0.901 1.00 0.00 C ATOM 814 CG LYS A 64 5.316 7.766 -1.205 1.00 0.00 C ATOM 815 CD LYS A 64 4.781 8.729 -0.186 1.00 0.00 C ATOM 816 CE LYS A 64 5.417 8.448 1.166 1.00 0.00 C ATOM 817 NZ LYS A 64 4.856 9.235 2.277 1.00 0.00 N ATOM 0 H LYS A 64 2.793 6.754 0.809 1.00 0.00 H new ATOM 0 HA LYS A 64 3.094 6.156 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.211 6.098 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.483 5.668 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.403 7.835 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.953 8.046 -2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.993 9.753 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.697 8.635 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.304 7.388 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.487 8.647 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.429 9.086 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.864 10.244 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.878 8.931 2.459 1.00 0.00 H new ATOM 831 N LEU A 65 3.485 3.672 -1.688 1.00 0.00 N ATOM 832 CA LEU A 65 3.404 2.272 -1.534 1.00 0.00 C ATOM 833 C LEU A 65 4.774 1.732 -1.494 1.00 0.00 C ATOM 834 O LEU A 65 5.411 1.676 -2.525 1.00 0.00 O ATOM 835 CB LEU A 65 2.740 1.703 -2.753 1.00 0.00 C ATOM 836 CG LEU A 65 2.234 0.259 -2.648 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.304 0.092 -1.454 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.538 -0.144 -3.936 1.00 0.00 C ATOM 0 H LEU A 65 3.692 3.977 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 65 2.852 2.022 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.895 2.342 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.446 1.757 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 65 3.091 -0.397 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.960 -0.941 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.839 0.342 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.446 0.755 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.182 -1.171 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.692 0.519 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.239 -0.070 -4.767 1.00 0.00 H new ATOM 850 N TRP A 66 5.283 1.421 -0.356 1.00 0.00 N ATOM 851 CA TRP A 66 6.551 0.791 -0.361 1.00 0.00 C ATOM 852 C TRP A 66 6.349 -0.700 -0.500 1.00 0.00 C ATOM 853 O TRP A 66 5.552 -1.285 0.217 1.00 0.00 O ATOM 854 CB TRP A 66 7.426 1.099 0.889 1.00 0.00 C ATOM 855 CG TRP A 66 8.597 0.153 1.008 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.687 -0.972 1.783 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.791 0.213 0.269 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.870 -1.613 1.548 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.571 -0.894 0.619 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.271 1.096 -0.657 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.810 -1.119 0.045 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.476 0.873 -1.218 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.232 -0.208 -0.881 1.00 0.00 C ATOM 0 H TRP A 66 4.860 1.585 0.558 1.00 0.00 H new ATOM 0 HA TRP A 66 7.104 1.198 -1.207 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.793 2.124 0.831 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.812 1.030 1.787 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.932 -1.305 2.480 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.178 -2.479 1.990 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.691 1.963 -0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.413 -1.973 0.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.851 1.569 -1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.190 -0.349 -1.358 1.00 0.00 H new ATOM 874 N ALA A 67 7.058 -1.269 -1.402 1.00 0.00 N ATOM 875 CA ALA A 67 7.079 -2.652 -1.622 1.00 0.00 C ATOM 876 C ALA A 67 8.507 -3.090 -1.793 1.00 0.00 C ATOM 877 O ALA A 67 9.301 -2.413 -2.477 1.00 0.00 O ATOM 878 CB ALA A 67 6.291 -3.026 -2.861 1.00 0.00 C ATOM 0 H ALA A 67 7.667 -0.750 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 67 6.621 -3.148 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.327 -4.106 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.254 -2.710 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.723 -2.531 -3.730 1.00 0.00 H new ATOM 884 N ARG A 68 8.849 -4.161 -1.161 1.00 0.00 N ATOM 885 CA ARG A 68 10.084 -4.786 -1.360 1.00 0.00 C ATOM 886 C ARG A 68 9.713 -6.220 -1.545 1.00 0.00 C ATOM 887 O ARG A 68 9.384 -6.950 -0.607 1.00 0.00 O ATOM 888 CB ARG A 68 11.062 -4.613 -0.200 1.00 0.00 C ATOM 889 CG ARG A 68 12.456 -5.092 -0.551 1.00 0.00 C ATOM 890 CD ARG A 68 13.250 -4.062 -1.379 1.00 0.00 C ATOM 891 NE ARG A 68 14.356 -4.715 -2.111 1.00 0.00 N ATOM 892 CZ ARG A 68 15.406 -4.112 -2.680 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.741 -2.884 -2.319 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.202 -4.797 -3.492 1.00 0.00 N ATOM 0 H ARG A 68 8.253 -4.627 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 68 10.618 -4.351 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.102 -3.562 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.697 -5.165 0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.002 -5.312 0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.385 -6.024 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.584 -3.566 -2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.649 -3.290 -0.721 1.00 0.00 H new ATOM 0 HE ARG A 68 14.314 -5.731 -2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.199 -2.396 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.542 -2.425 -2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.013 -5.781 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.003 -4.339 -3.927 1.00 0.00 H new ATOM 908 N TYR A 69 9.602 -6.551 -2.748 1.00 0.00 N ATOM 909 CA TYR A 69 9.128 -7.865 -3.172 1.00 0.00 C ATOM 910 C TYR A 69 10.147 -8.954 -2.869 1.00 0.00 C ATOM 911 O TYR A 69 11.299 -8.674 -2.602 1.00 0.00 O ATOM 912 CB TYR A 69 8.884 -7.894 -4.677 1.00 0.00 C ATOM 913 CG TYR A 69 8.050 -6.782 -5.228 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.690 -6.771 -5.073 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.636 -5.747 -5.927 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.929 -5.761 -5.594 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.881 -4.738 -6.457 1.00 0.00 C ATOM 918 CZ TYR A 69 6.521 -4.752 -6.285 1.00 0.00 C ATOM 919 OH TYR A 69 5.748 -3.744 -6.818 1.00 0.00 O ATOM 0 H TYR A 69 9.834 -5.929 -3.522 1.00 0.00 H new ATOM 0 HA TYR A 69 8.205 -8.048 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.850 -7.881 -5.182 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.405 -8.840 -4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.210 -7.572 -4.531 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.708 -5.734 -6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.858 -5.766 -5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.352 -3.937 -7.007 1.00 0.00 H new ATOM 0 HH TYR A 69 5.984 -3.614 -7.760 1.00 0.00 H new ATOM 929 N ALA A 70 9.709 -10.205 -2.964 1.00 0.00 N ATOM 930 CA ALA A 70 10.612 -11.357 -2.839 1.00 0.00 C ATOM 931 C ALA A 70 11.189 -11.676 -4.189 1.00 0.00 C ATOM 932 O ALA A 70 12.032 -12.544 -4.339 1.00 0.00 O ATOM 933 CB ALA A 70 9.920 -12.554 -2.213 1.00 0.00 C ATOM 0 H ALA A 70 8.733 -10.453 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 70 11.426 -11.100 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.623 -13.383 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.565 -12.289 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.074 -12.850 -2.833 1.00 0.00 H new ATOM 939 N PHE A 71 10.714 -10.944 -5.180 1.00 0.00 N ATOM 940 CA PHE A 71 11.355 -10.910 -6.468 1.00 0.00 C ATOM 941 C PHE A 71 12.618 -10.073 -6.268 1.00 0.00 C ATOM 942 O PHE A 71 13.571 -10.126 -7.037 1.00 0.00 O ATOM 943 CB PHE A 71 10.433 -10.256 -7.500 1.00 0.00 C ATOM 944 CG PHE A 71 9.107 -10.950 -7.647 1.00 0.00 C ATOM 945 CD1 PHE A 71 8.991 -12.097 -8.410 1.00 0.00 C ATOM 946 CD2 PHE A 71 7.978 -10.459 -7.011 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.777 -12.738 -8.537 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.764 -11.098 -7.135 1.00 0.00 C ATOM 949 CZ PHE A 71 6.665 -12.239 -7.899 1.00 0.00 C ATOM 0 H PHE A 71 9.879 -10.363 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 71 11.587 -11.909 -6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.261 -9.218 -7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.936 -10.242 -8.467 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.861 -12.495 -8.912 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.051 -9.564 -6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.699 -13.632 -9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.892 -10.705 -6.634 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.715 -12.742 -7.997 1.00 0.00 H new ATOM 959 N GLY A 72 12.592 -9.331 -5.160 1.00 0.00 N ATOM 960 CA GLY A 72 13.675 -8.542 -4.711 1.00 0.00 C ATOM 961 C GLY A 72 13.779 -7.242 -5.443 1.00 0.00 C ATOM 962 O GLY A 72 14.857 -6.824 -5.850 1.00 0.00 O ATOM 0 H GLY A 72 11.776 -9.280 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.560 -8.347 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.603 -9.100 -4.835 1.00 0.00 H new ATOM 966 N GLN A 73 12.641 -6.598 -5.621 1.00 0.00 N ATOM 967 CA GLN A 73 12.575 -5.315 -6.282 1.00 0.00 C ATOM 968 C GLN A 73 11.919 -4.285 -5.380 1.00 0.00 C ATOM 969 O GLN A 73 11.200 -4.647 -4.408 1.00 0.00 O ATOM 970 CB GLN A 73 11.827 -5.397 -7.616 1.00 0.00 C ATOM 971 CG GLN A 73 12.529 -6.223 -8.676 1.00 0.00 C ATOM 972 CD GLN A 73 11.818 -6.202 -10.020 1.00 0.00 C ATOM 973 OE1 GLN A 73 11.154 -5.113 -10.342 1.00 0.00 O flip ATOM 974 NE2 GLN A 73 11.887 -7.168 -10.779 1.00 0.00 N flip ATOM 0 H GLN A 73 11.737 -6.953 -5.310 1.00 0.00 H new ATOM 0 HA GLN A 73 13.599 -5.007 -6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.838 -5.819 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.679 -4.387 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.545 -5.850 -8.804 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.609 -7.254 -8.330 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.410 -7.999 -10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.422 -7.138 -11.686 1.00 0.00 H new ATOM 983 N GLU A 74 12.157 -3.028 -5.705 1.00 0.00 N ATOM 984 CA GLU A 74 11.653 -1.899 -4.961 1.00 0.00 C ATOM 985 C GLU A 74 10.427 -1.317 -5.550 1.00 0.00 C ATOM 986 O GLU A 74 10.213 -1.367 -6.766 1.00 0.00 O ATOM 987 CB GLU A 74 12.677 -0.797 -4.898 1.00 0.00 C ATOM 988 CG GLU A 74 13.685 -0.992 -3.848 1.00 0.00 C ATOM 989 CD GLU A 74 14.726 0.095 -3.854 1.00 0.00 C ATOM 990 OE1 GLU A 74 14.526 1.143 -3.201 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.764 -0.080 -4.499 1.00 0.00 O ATOM 0 H GLU A 74 12.720 -2.762 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 74 11.425 -2.289 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.179 -0.723 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.168 0.152 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.194 -1.018 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.170 -1.958 -3.986 1.00 0.00 H new ATOM 998 N THR A 75 9.658 -0.750 -4.690 1.00 0.00 N ATOM 999 CA THR A 75 8.491 -0.003 -5.015 1.00 0.00 C ATOM 1000 C THR A 75 8.259 0.945 -3.878 1.00 0.00 C ATOM 1001 O THR A 75 8.306 0.549 -2.765 1.00 0.00 O ATOM 1002 CB THR A 75 7.275 -0.937 -5.199 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.382 -1.681 -6.406 1.00 0.00 O ATOM 1004 CG2 THR A 75 5.936 -0.218 -5.136 1.00 0.00 C ATOM 0 H THR A 75 9.834 -0.796 -3.686 1.00 0.00 H new ATOM 0 HA THR A 75 8.623 0.535 -5.954 1.00 0.00 H new ATOM 0 HB THR A 75 7.297 -1.620 -4.350 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.012 -2.579 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.129 -0.938 -5.273 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.828 0.266 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.889 0.534 -5.924 1.00 0.00 H new ATOM 1012 N ASN A 76 8.174 2.176 -4.158 1.00 0.00 N ATOM 1013 CA ASN A 76 7.855 3.172 -3.157 1.00 0.00 C ATOM 1014 C ASN A 76 7.069 4.267 -3.807 1.00 0.00 C ATOM 1015 O ASN A 76 7.649 5.226 -4.326 1.00 0.00 O ATOM 1016 CB ASN A 76 9.112 3.681 -2.380 1.00 0.00 C ATOM 1017 CG ASN A 76 10.339 3.984 -3.252 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.476 5.082 -3.775 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.292 3.041 -3.338 1.00 0.00 N ATOM 0 H ASN A 76 8.321 2.555 -5.093 1.00 0.00 H new ATOM 0 HA ASN A 76 7.239 2.716 -2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.841 4.585 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.389 2.932 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.154 3.232 -3.848 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.153 2.134 -2.893 1.00 0.00 H new ATOM 1026 N VAL A 77 5.732 4.147 -3.831 1.00 0.00 N ATOM 1027 CA VAL A 77 5.024 5.113 -4.699 1.00 0.00 C ATOM 1028 C VAL A 77 3.652 5.629 -4.334 1.00 0.00 C ATOM 1029 O VAL A 77 2.761 4.880 -3.978 1.00 0.00 O ATOM 1030 CB VAL A 77 5.110 4.682 -6.151 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.654 3.237 -6.352 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.450 5.629 -7.157 1.00 0.00 C ATOM 0 H VAL A 77 5.164 3.470 -3.321 1.00 0.00 H new ATOM 0 HA VAL A 77 5.593 6.022 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 77 6.174 4.740 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.733 2.974 -7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.285 2.571 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.618 3.134 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.568 5.229 -8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.389 5.723 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.923 6.609 -7.098 1.00 0.00 H new ATOM 1042 N PRO A 78 3.545 6.981 -4.394 1.00 0.00 N ATOM 1043 CA PRO A 78 2.320 7.750 -4.241 1.00 0.00 C ATOM 1044 C PRO A 78 1.198 7.166 -5.045 1.00 0.00 C ATOM 1045 O PRO A 78 1.158 7.247 -6.270 1.00 0.00 O ATOM 1046 CB PRO A 78 2.703 9.133 -4.751 1.00 0.00 C ATOM 1047 CG PRO A 78 4.142 9.231 -4.425 1.00 0.00 C ATOM 1048 CD PRO A 78 4.688 7.848 -4.618 1.00 0.00 C ATOM 0 HA PRO A 78 1.957 7.761 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.526 9.230 -5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.125 9.917 -4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.645 9.946 -5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.291 9.573 -3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.097 7.717 -5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.493 7.636 -3.915 1.00 0.00 H new ATOM 1056 N LEU A 79 0.315 6.558 -4.343 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.785 5.863 -4.897 1.00 0.00 C ATOM 1058 C LEU A 79 -2.072 6.689 -4.775 1.00 0.00 C ATOM 1059 O LEU A 79 -3.189 6.180 -4.844 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.834 4.443 -4.279 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.819 4.252 -2.738 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.983 4.916 -2.052 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.847 2.770 -2.429 1.00 0.00 C ATOM 0 H LEU A 79 0.341 6.530 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.670 5.723 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.736 3.960 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.014 3.888 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 79 0.089 4.722 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.917 4.747 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.961 5.987 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.915 4.495 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.837 2.623 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.752 2.328 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.027 2.290 -2.869 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.851 8.001 -4.681 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.885 9.057 -4.554 1.00 0.00 C ATOM 1077 C ASN A 80 -4.031 8.942 -5.583 1.00 0.00 C ATOM 1078 O ASN A 80 -5.181 9.250 -5.289 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.191 10.452 -4.629 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.116 11.687 -4.644 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -4.238 11.623 -4.005 1.00 0.00 O flip ATOM 1082 ND2 ASN A 80 -2.789 12.707 -5.237 1.00 0.00 N flip ATOM 0 H ASN A 80 -0.906 8.385 -4.691 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.369 8.926 -3.586 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.517 10.543 -3.778 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.575 10.478 -5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.901 12.744 -5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.405 13.520 -5.231 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.730 8.459 -6.716 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.717 8.391 -7.810 1.00 0.00 C ATOM 1091 C ASN A 81 -5.560 7.125 -7.796 1.00 0.00 C ATOM 1092 O ASN A 81 -6.439 6.967 -8.645 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.042 8.524 -9.181 1.00 0.00 C ATOM 1094 CG ASN A 81 -3.483 9.902 -9.464 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.165 10.752 -10.047 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -2.257 10.135 -9.072 1.00 0.00 N ATOM 0 H ASN A 81 -2.809 8.090 -6.953 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.386 9.234 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.234 7.795 -9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.765 8.271 -9.956 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.831 11.045 -9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.727 9.406 -8.594 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.353 6.246 -6.857 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.052 5.000 -6.874 1.00 0.00 C ATOM 1105 C PHE A 82 -6.995 4.873 -5.692 1.00 0.00 C ATOM 1106 O PHE A 82 -6.773 5.443 -4.621 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.071 3.832 -6.962 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.132 3.911 -8.142 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -4.572 3.607 -9.418 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -2.810 4.291 -7.967 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -3.715 3.679 -10.498 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -1.948 4.365 -9.041 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.400 4.060 -10.310 1.00 0.00 C ATOM 0 H PHE A 82 -4.709 6.371 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.674 4.971 -7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.484 3.793 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.634 2.901 -7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.599 3.310 -9.571 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.451 4.532 -6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.072 3.438 -11.488 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.920 4.661 -8.890 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.728 4.119 -11.153 1.00 0.00 H new ATOM 1123 N SER A 83 -8.045 4.167 -5.935 1.00 0.00 N ATOM 1124 CA SER A 83 -9.125 3.943 -4.998 1.00 0.00 C ATOM 1125 C SER A 83 -8.891 2.698 -4.101 1.00 0.00 C ATOM 1126 O SER A 83 -8.030 1.888 -4.393 1.00 0.00 O ATOM 1127 CB SER A 83 -10.393 3.802 -5.803 1.00 0.00 C ATOM 1128 OG SER A 83 -10.656 4.991 -6.546 1.00 0.00 O ATOM 0 H SER A 83 -8.194 3.702 -6.831 1.00 0.00 H new ATOM 0 HA SER A 83 -9.189 4.787 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.305 2.955 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.230 3.591 -5.138 1.00 0.00 H new ATOM 0 HG SER A 83 -11.481 4.878 -7.062 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.718 2.563 -3.046 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.619 1.515 -1.993 1.00 0.00 C ATOM 1136 C ALA A 84 -9.374 0.064 -2.518 1.00 0.00 C ATOM 1137 O ALA A 84 -8.301 -0.572 -2.280 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.917 1.511 -1.218 1.00 0.00 C ATOM 0 H ALA A 84 -10.501 3.198 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.748 1.773 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.873 0.751 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.072 2.489 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.743 1.290 -1.893 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.339 -0.452 -3.247 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.289 -1.844 -3.687 1.00 0.00 C ATOM 1146 C ASP A 85 -9.223 -1.998 -4.689 1.00 0.00 C ATOM 1147 O ASP A 85 -8.411 -2.934 -4.635 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.586 -2.262 -4.322 1.00 0.00 C ATOM 1149 CG ASP A 85 -11.632 -3.761 -4.569 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -11.613 -4.535 -3.598 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -11.699 -4.187 -5.742 1.00 0.00 O ATOM 0 H ASP A 85 -11.167 0.061 -3.550 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.101 -2.466 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.417 -1.973 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.716 -1.733 -5.266 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.207 -1.052 -5.582 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.243 -1.021 -6.663 1.00 0.00 C ATOM 1158 C GLN A 86 -6.843 -0.993 -6.129 1.00 0.00 C ATOM 1159 O GLN A 86 -6.037 -1.715 -6.633 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.529 0.116 -7.672 1.00 0.00 C ATOM 1161 CG GLN A 86 -7.909 -0.071 -9.083 1.00 0.00 C ATOM 1162 CD GLN A 86 -6.494 0.510 -9.331 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -5.653 0.596 -8.343 1.00 0.00 O flip ATOM 1164 NE2 GLN A 86 -6.172 0.878 -10.452 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.863 -0.271 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.349 -1.945 -7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.609 0.220 -7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.159 1.052 -7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.875 -1.140 -9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.587 0.377 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.837 0.808 -11.222 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.239 1.255 -10.616 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.533 -0.175 -5.116 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.191 -0.229 -4.544 1.00 0.00 C ATOM 1175 C VAL A 87 -4.916 -1.604 -4.009 1.00 0.00 C ATOM 1176 O VAL A 87 -3.917 -2.169 -4.331 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.819 0.870 -3.472 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.752 2.243 -4.064 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.741 0.876 -2.315 1.00 0.00 C ATOM 0 H VAL A 87 -7.166 0.504 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.538 0.010 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.826 0.595 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.493 2.962 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.993 2.265 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.721 2.503 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.437 1.651 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.756 1.077 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.711 -0.095 -1.821 1.00 0.00 H new ATOM 1189 N THR A 88 -5.860 -2.202 -3.287 1.00 0.00 N ATOM 1190 CA THR A 88 -5.582 -3.532 -2.730 1.00 0.00 C ATOM 1191 C THR A 88 -5.382 -4.646 -3.789 1.00 0.00 C ATOM 1192 O THR A 88 -4.494 -5.540 -3.658 1.00 0.00 O ATOM 1193 CB THR A 88 -6.569 -3.909 -1.623 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.933 -3.935 -2.104 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.464 -2.870 -0.548 1.00 0.00 C ATOM 0 H THR A 88 -6.781 -1.816 -3.078 1.00 0.00 H new ATOM 0 HA THR A 88 -4.602 -3.450 -2.259 1.00 0.00 H new ATOM 0 HB THR A 88 -6.323 -4.906 -1.257 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.967 -3.569 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.157 -3.110 0.259 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.446 -2.851 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.713 -1.892 -0.961 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.128 -4.537 -4.834 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.055 -5.469 -5.944 1.00 0.00 C ATOM 1205 C ARG A 89 -4.803 -5.170 -6.755 1.00 0.00 C ATOM 1206 O ARG A 89 -4.104 -6.081 -7.168 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.316 -5.360 -6.814 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.376 -6.330 -7.986 1.00 0.00 C ATOM 1209 CD ARG A 89 -7.413 -7.780 -7.527 1.00 0.00 C ATOM 1210 NE ARG A 89 -7.508 -8.704 -8.663 1.00 0.00 N ATOM 1211 CZ ARG A 89 -7.804 -10.006 -8.585 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -7.970 -10.585 -7.405 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -7.936 -10.724 -9.695 1.00 0.00 N ATOM 0 H ARG A 89 -6.818 -3.796 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.001 -6.491 -5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.190 -5.522 -6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.386 -4.343 -7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.260 -6.118 -8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.509 -6.176 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.515 -8.003 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.264 -7.930 -6.863 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.333 -8.320 -9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.872 -10.037 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.196 -11.578 -7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.812 -10.282 -10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.162 -11.717 -9.636 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.524 -3.884 -6.958 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.291 -3.443 -7.629 1.00 0.00 C ATOM 1229 C ALA A 90 -2.093 -3.892 -6.843 1.00 0.00 C ATOM 1230 O ALA A 90 -1.099 -4.251 -7.434 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.252 -1.936 -7.825 1.00 0.00 C ATOM 0 H ALA A 90 -5.136 -3.121 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.274 -3.900 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.324 -1.658 -8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.099 -1.627 -8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.305 -1.441 -6.855 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.188 -3.861 -5.495 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.147 -4.443 -4.658 1.00 0.00 C ATOM 1239 C LEU A 91 -0.949 -5.863 -5.048 1.00 0.00 C ATOM 1240 O LEU A 91 0.125 -6.234 -5.427 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.401 -4.360 -3.123 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.838 -3.123 -2.375 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.413 -1.823 -2.868 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.043 -3.258 -0.883 1.00 0.00 C ATOM 0 H LEU A 91 -2.965 -3.444 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.256 -3.841 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.478 -4.393 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.979 -5.253 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 91 0.230 -3.096 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.979 -0.997 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.183 -1.701 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.494 -1.828 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.640 -2.379 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.108 -3.343 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.528 -4.149 -0.524 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.011 -6.636 -5.037 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.904 -8.062 -5.399 1.00 0.00 C ATOM 1258 C GLU A 92 -1.297 -8.224 -6.790 1.00 0.00 C ATOM 1259 O GLU A 92 -0.414 -9.073 -6.990 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.253 -8.766 -5.317 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.186 -10.270 -5.555 1.00 0.00 C ATOM 1262 CD GLU A 92 -4.543 -10.897 -5.726 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -5.186 -11.252 -4.725 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -4.994 -11.039 -6.868 1.00 0.00 O ATOM 0 H GLU A 92 -2.950 -6.325 -4.789 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.241 -8.534 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.687 -8.584 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.927 -8.323 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.586 -10.466 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.676 -10.743 -4.716 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.767 -7.413 -7.712 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.231 -7.341 -9.062 1.00 0.00 C ATOM 1273 C ASN A 93 0.297 -7.193 -8.986 1.00 0.00 C ATOM 1274 O ASN A 93 1.071 -8.172 -9.279 1.00 0.00 O ATOM 1275 CB ASN A 93 -1.850 -6.114 -9.792 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.237 -6.312 -10.418 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.587 -5.618 -11.369 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.018 -7.251 -9.941 1.00 0.00 N ATOM 0 H ASN A 93 -2.544 -6.773 -7.547 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.478 -8.248 -9.614 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.912 -5.291 -9.081 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.163 -5.804 -10.579 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.933 -7.415 -10.360 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.710 -7.818 -9.151 1.00 0.00 H new ATOM 1285 N VAL A 94 0.724 -6.036 -8.468 1.00 0.00 N ATOM 1286 CA VAL A 94 2.119 -5.693 -8.370 1.00 0.00 C ATOM 1287 C VAL A 94 2.942 -6.635 -7.593 1.00 0.00 C ATOM 1288 O VAL A 94 4.010 -7.050 -8.052 1.00 0.00 O ATOM 1289 CB VAL A 94 2.434 -4.261 -7.890 1.00 0.00 C ATOM 1290 CG1 VAL A 94 2.110 -3.227 -8.946 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.777 -3.891 -6.570 1.00 0.00 C ATOM 0 H VAL A 94 0.096 -5.318 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 94 2.400 -5.762 -9.421 1.00 0.00 H new ATOM 0 HB VAL A 94 3.509 -4.259 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.347 -2.233 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.700 -3.424 -9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.049 -3.278 -9.192 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.048 -2.870 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.694 -3.965 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.117 -4.573 -5.791 1.00 0.00 H new ATOM 1301 N LEU A 95 2.471 -7.027 -6.479 1.00 0.00 N ATOM 1302 CA LEU A 95 3.349 -7.701 -5.610 1.00 0.00 C ATOM 1303 C LEU A 95 3.351 -9.150 -5.697 1.00 0.00 C ATOM 1304 O LEU A 95 4.353 -9.776 -5.370 1.00 0.00 O ATOM 1305 CB LEU A 95 3.271 -7.184 -4.198 1.00 0.00 C ATOM 1306 CG LEU A 95 1.907 -7.224 -3.508 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.471 -8.602 -3.035 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.833 -6.219 -2.420 1.00 0.00 C ATOM 0 H LEU A 95 1.514 -6.900 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 95 4.337 -7.443 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.972 -7.756 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.618 -6.151 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 95 1.184 -6.961 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.493 -8.531 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.411 -9.277 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.196 -8.987 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.853 -6.268 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.606 -6.427 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.986 -5.222 -2.834 1.00 0.00 H new ATOM 1320 N SER A 96 2.291 -9.710 -6.083 1.00 0.00 N ATOM 1321 CA SER A 96 2.325 -11.085 -6.190 1.00 0.00 C ATOM 1322 C SER A 96 2.918 -11.469 -7.549 1.00 0.00 C ATOM 1323 O SER A 96 3.422 -12.591 -7.714 1.00 0.00 O ATOM 1324 CB SER A 96 0.975 -11.721 -5.890 1.00 0.00 C ATOM 1325 OG SER A 96 0.564 -11.378 -4.565 1.00 0.00 O ATOM 0 H SER A 96 1.413 -9.250 -6.324 1.00 0.00 H new ATOM 0 HA SER A 96 2.982 -11.496 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.233 -11.379 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.042 -12.804 -5.991 1.00 0.00 H new ATOM 0 HG SER A 96 -0.306 -11.788 -4.376 1.00 0.00 H new ATOM 1331 N GLY A 97 2.890 -10.536 -8.539 1.00 0.00 N ATOM 1332 CA GLY A 97 3.589 -10.871 -9.740 1.00 0.00 C ATOM 1333 C GLY A 97 3.669 -9.785 -10.770 1.00 0.00 C ATOM 1334 O GLY A 97 3.533 -10.082 -11.960 1.00 0.00 O ATOM 0 H GLY A 97 2.424 -9.629 -8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.603 -11.172 -9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.106 -11.738 -10.190 1.00 0.00 H new ATOM 1338 N LYS A 98 3.831 -8.522 -10.384 1.00 0.00 N ATOM 1339 CA LYS A 98 3.983 -7.520 -11.465 1.00 0.00 C ATOM 1340 C LYS A 98 5.426 -7.192 -11.650 1.00 0.00 C ATOM 1341 O LYS A 98 5.946 -7.092 -12.763 1.00 0.00 O ATOM 1342 CB LYS A 98 3.185 -6.253 -11.216 1.00 0.00 C ATOM 1343 CG LYS A 98 2.516 -5.606 -12.439 1.00 0.00 C ATOM 1344 CD LYS A 98 3.497 -5.142 -13.503 1.00 0.00 C ATOM 1345 CE LYS A 98 2.767 -4.477 -14.657 1.00 0.00 C ATOM 1346 NZ LYS A 98 3.676 -4.085 -15.747 1.00 0.00 N ATOM 0 H LYS A 98 3.861 -8.176 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 98 3.582 -7.967 -12.375 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.410 -6.478 -10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.848 -5.517 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.824 -6.321 -12.884 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.923 -4.753 -12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.210 -4.442 -13.066 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.070 -5.993 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.011 -5.159 -15.046 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.242 -3.595 -14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.130 -3.636 -16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.382 -3.413 -15.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.159 -4.929 -16.117 1.00 0.00 H new ATOM 1360 N ALA A 99 6.037 -7.007 -10.568 1.00 0.00 N ATOM 1361 CA ALA A 99 7.400 -6.587 -10.511 1.00 0.00 C ATOM 1362 C ALA A 99 8.245 -7.626 -9.797 1.00 0.00 C ATOM 1363 O ALA A 99 8.720 -8.568 -10.480 1.00 0.00 O ATOM 1364 CB ALA A 99 7.473 -5.232 -9.840 1.00 0.00 C ATOM 1365 OXT ALA A 99 8.417 -7.535 -8.587 1.00 0.00 O ATOM 0 H ALA A 99 5.609 -7.142 -9.652 1.00 0.00 H new ATOM 0 HA ALA A 99 7.804 -6.490 -11.519 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.512 -4.905 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.891 -4.510 -10.413 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.069 -5.304 -8.830 1.00 0.00 H new