USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 253 hydrogens (2 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 25 SER OG : rot -140:sc= 0.217 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 178:sc= 0.22 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.488 K(o=-0.49,f=-4!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0509 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -42:sc= 0.211 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.834 6.414 1.319 1.00 0.00 N ATOM 2 CA GLU A 1 10.560 7.189 1.414 1.00 0.00 C ATOM 3 C GLU A 1 9.397 6.372 0.832 1.00 0.00 C ATOM 4 O GLU A 1 8.967 6.591 -0.287 1.00 0.00 O ATOM 5 CB GLU A 1 10.801 8.464 0.595 1.00 0.00 C ATOM 6 CG GLU A 1 11.058 9.641 1.541 1.00 0.00 C ATOM 7 CD GLU A 1 9.732 10.332 1.871 1.00 0.00 C ATOM 8 OE1 GLU A 1 9.082 9.906 2.812 1.00 0.00 O ATOM 9 OE2 GLU A 1 9.389 11.276 1.178 1.00 0.00 O ATOM 0 H1 GLU A 1 12.613 6.977 1.716 1.00 0.00 H new ATOM 0 H2 GLU A 1 11.741 5.527 1.853 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.036 6.198 0.322 1.00 0.00 H new ATOM 0 HA GLU A 1 10.293 7.421 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 1 11.654 8.326 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.936 8.673 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 1 11.534 9.288 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.744 10.350 1.078 1.00 0.00 H new ATOM 18 N CYS A 2 8.886 5.430 1.588 1.00 0.00 N ATOM 19 CA CYS A 2 7.750 4.592 1.091 1.00 0.00 C ATOM 20 C CYS A 2 6.857 4.151 2.258 1.00 0.00 C ATOM 21 O CYS A 2 7.208 4.302 3.414 1.00 0.00 O ATOM 22 CB CYS A 2 8.408 3.379 0.423 1.00 0.00 C ATOM 23 SG CYS A 2 9.096 2.277 1.687 1.00 0.00 S ATOM 0 H CYS A 2 9.208 5.205 2.530 1.00 0.00 H new ATOM 0 HA CYS A 2 7.111 5.139 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 2 7.675 2.843 -0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 2 9.197 3.709 -0.253 1.00 0.00 H new ATOM 28 N LEU A 3 5.704 3.607 1.958 1.00 0.00 N ATOM 29 CA LEU A 3 4.778 3.151 3.040 1.00 0.00 C ATOM 30 C LEU A 3 4.945 1.646 3.278 1.00 0.00 C ATOM 31 O LEU A 3 5.148 0.881 2.352 1.00 0.00 O ATOM 32 CB LEU A 3 3.369 3.461 2.523 1.00 0.00 C ATOM 33 CG LEU A 3 3.209 4.974 2.328 1.00 0.00 C ATOM 34 CD1 LEU A 3 2.403 5.244 1.055 1.00 0.00 C ATOM 35 CD2 LEU A 3 2.475 5.572 3.534 1.00 0.00 C ATOM 0 H LEU A 3 5.363 3.459 1.008 1.00 0.00 H new ATOM 0 HA LEU A 3 4.978 3.648 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.196 2.943 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.624 3.095 3.229 1.00 0.00 H new ATOM 0 HG LEU A 3 4.194 5.433 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.290 6.319 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.926 4.821 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.419 4.784 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.362 6.647 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.491 5.112 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.050 5.382 4.440 1.00 0.00 H new ATOM 47 N GLY A 4 4.862 1.217 4.513 1.00 0.00 N ATOM 48 CA GLY A 4 5.015 -0.238 4.819 1.00 0.00 C ATOM 49 C GLY A 4 3.637 -0.868 5.047 1.00 0.00 C ATOM 50 O GLY A 4 2.616 -0.289 4.721 1.00 0.00 O ATOM 0 H GLY A 4 4.695 1.813 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.523 -0.741 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.636 -0.369 5.705 1.00 0.00 H new ATOM 54 N PHE A 5 3.600 -2.053 5.608 1.00 0.00 N ATOM 55 CA PHE A 5 2.290 -2.728 5.863 1.00 0.00 C ATOM 56 C PHE A 5 1.644 -2.160 7.133 1.00 0.00 C ATOM 57 O PHE A 5 2.307 -1.940 8.130 1.00 0.00 O ATOM 58 CB PHE A 5 2.630 -4.211 6.042 1.00 0.00 C ATOM 59 CG PHE A 5 1.371 -4.995 6.336 1.00 0.00 C ATOM 60 CD1 PHE A 5 0.513 -5.365 5.292 1.00 0.00 C ATOM 61 CD2 PHE A 5 1.061 -5.352 7.654 1.00 0.00 C ATOM 62 CE1 PHE A 5 -0.651 -6.091 5.566 1.00 0.00 C ATOM 63 CE2 PHE A 5 -0.104 -6.078 7.928 1.00 0.00 C ATOM 64 CZ PHE A 5 -0.960 -6.448 6.884 1.00 0.00 C ATOM 0 H PHE A 5 4.422 -2.582 5.900 1.00 0.00 H new ATOM 0 HA PHE A 5 1.580 -2.574 5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.106 -4.595 5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.344 -4.334 6.856 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.750 -5.090 4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.721 -5.067 8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.311 -6.376 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.342 -6.353 8.945 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.859 -7.009 7.095 1.00 0.00 H new ATOM 74 N GLY A 6 0.357 -1.919 7.099 1.00 0.00 N ATOM 75 CA GLY A 6 -0.335 -1.361 8.298 1.00 0.00 C ATOM 76 C GLY A 6 -0.143 0.158 8.338 1.00 0.00 C ATOM 77 O GLY A 6 0.214 0.718 9.357 1.00 0.00 O ATOM 0 H GLY A 6 -0.243 -2.085 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.397 -1.603 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.066 -1.813 9.205 1.00 0.00 H new ATOM 81 N LYS A 7 -0.375 0.828 7.233 1.00 0.00 N ATOM 82 CA LYS A 7 -0.204 2.314 7.200 1.00 0.00 C ATOM 83 C LYS A 7 -1.285 2.954 6.321 1.00 0.00 C ATOM 84 O LYS A 7 -1.435 2.616 5.162 1.00 0.00 O ATOM 85 CB LYS A 7 1.187 2.542 6.599 1.00 0.00 C ATOM 86 CG LYS A 7 2.075 3.252 7.623 1.00 0.00 C ATOM 87 CD LYS A 7 3.532 2.829 7.421 1.00 0.00 C ATOM 88 CE LYS A 7 4.366 3.273 8.627 1.00 0.00 C ATOM 89 NZ LYS A 7 4.905 4.613 8.257 1.00 0.00 N ATOM 0 H LYS A 7 -0.675 0.408 6.353 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.297 2.762 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.633 1.589 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.109 3.141 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.981 4.332 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.751 3.005 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.594 1.747 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.928 3.274 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.756 3.329 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.171 2.567 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.487 4.980 9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.488 4.528 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.116 5.267 8.076 1.00 0.00 H new ATOM 103 N GLY A 8 -2.038 3.876 6.870 1.00 0.00 N ATOM 104 CA GLY A 8 -3.117 4.545 6.081 1.00 0.00 C ATOM 105 C GLY A 8 -2.499 5.424 4.989 1.00 0.00 C ATOM 106 O GLY A 8 -1.756 6.346 5.270 1.00 0.00 O ATOM 0 H GLY A 8 -1.950 4.195 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.768 3.795 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.738 5.152 6.740 1.00 0.00 H new ATOM 110 N CYS A 9 -2.805 5.144 3.746 1.00 0.00 N ATOM 111 CA CYS A 9 -2.244 5.959 2.624 1.00 0.00 C ATOM 112 C CYS A 9 -3.326 6.222 1.567 1.00 0.00 C ATOM 113 O CYS A 9 -4.376 5.604 1.572 1.00 0.00 O ATOM 114 CB CYS A 9 -1.089 5.113 2.058 1.00 0.00 C ATOM 115 SG CYS A 9 -1.488 4.511 0.394 1.00 0.00 S ATOM 0 H CYS A 9 -3.421 4.383 3.459 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.894 6.939 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.177 5.710 2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.893 4.268 2.718 1.00 0.00 H new ATOM 120 N ASN A 10 -3.077 7.137 0.662 1.00 0.00 N ATOM 121 CA ASN A 10 -4.087 7.445 -0.398 1.00 0.00 C ATOM 122 C ASN A 10 -4.016 6.399 -1.519 1.00 0.00 C ATOM 123 O ASN A 10 -2.940 6.017 -1.938 1.00 0.00 O ATOM 124 CB ASN A 10 -3.703 8.830 -0.932 1.00 0.00 C ATOM 125 CG ASN A 10 -4.809 9.836 -0.601 1.00 0.00 C ATOM 126 OD1 ASN A 10 -5.947 9.655 -0.986 1.00 0.00 O ATOM 127 ND2 ASN A 10 -4.519 10.900 0.099 1.00 0.00 N ATOM 0 H ASN A 10 -2.218 7.684 0.612 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.105 7.428 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.761 9.152 -0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.550 8.785 -2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.248 11.578 0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.564 11.053 0.423 1.00 0.00 H new ATOM 134 N PRO A 11 -5.172 5.972 -1.975 1.00 0.00 N ATOM 135 CA PRO A 11 -5.237 4.962 -3.066 1.00 0.00 C ATOM 136 C PRO A 11 -4.741 5.563 -4.390 1.00 0.00 C ATOM 137 O PRO A 11 -4.040 4.915 -5.144 1.00 0.00 O ATOM 138 CB PRO A 11 -6.721 4.603 -3.136 1.00 0.00 C ATOM 139 CG PRO A 11 -7.431 5.788 -2.567 1.00 0.00 C ATOM 140 CD PRO A 11 -6.513 6.384 -1.532 1.00 0.00 C ATOM 0 HA PRO A 11 -4.607 4.091 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.033 4.411 -4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.937 3.701 -2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.659 6.514 -3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.380 5.493 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.606 7.469 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.738 6.008 -0.534 1.00 0.00 H new ATOM 148 N SER A 12 -5.089 6.798 -4.670 1.00 0.00 N ATOM 149 CA SER A 12 -4.624 7.445 -5.938 1.00 0.00 C ATOM 150 C SER A 12 -3.109 7.680 -5.880 1.00 0.00 C ATOM 151 O SER A 12 -2.396 7.414 -6.828 1.00 0.00 O ATOM 152 CB SER A 12 -5.375 8.779 -6.017 1.00 0.00 C ATOM 153 OG SER A 12 -5.138 9.532 -4.832 1.00 0.00 O ATOM 0 H SER A 12 -5.674 7.385 -4.075 1.00 0.00 H new ATOM 0 HA SER A 12 -4.820 6.824 -6.812 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.045 9.342 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.443 8.600 -6.138 1.00 0.00 H new ATOM 0 HG SER A 12 -5.617 10.385 -4.885 1.00 0.00 H new ATOM 159 N ASN A 13 -2.617 8.170 -4.767 1.00 0.00 N ATOM 160 CA ASN A 13 -1.151 8.417 -4.631 1.00 0.00 C ATOM 161 C ASN A 13 -0.536 7.387 -3.672 1.00 0.00 C ATOM 162 O ASN A 13 0.036 7.732 -2.654 1.00 0.00 O ATOM 163 CB ASN A 13 -1.040 9.835 -4.060 1.00 0.00 C ATOM 164 CG ASN A 13 0.370 10.380 -4.302 1.00 0.00 C ATOM 165 OD1 ASN A 13 0.695 10.792 -5.398 1.00 0.00 O ATOM 166 ND2 ASN A 13 1.229 10.402 -3.318 1.00 0.00 N ATOM 0 H ASN A 13 -3.172 8.410 -3.945 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.619 8.324 -5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.777 10.486 -4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.258 9.826 -2.992 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.170 10.764 -3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.959 10.057 -2.397 1.00 0.00 H new ATOM 173 N ASP A 14 -0.654 6.121 -3.993 1.00 0.00 N ATOM 174 CA ASP A 14 -0.080 5.066 -3.104 1.00 0.00 C ATOM 175 C ASP A 14 1.417 4.900 -3.385 1.00 0.00 C ATOM 176 O ASP A 14 1.815 4.443 -4.440 1.00 0.00 O ATOM 177 CB ASP A 14 -0.848 3.780 -3.448 1.00 0.00 C ATOM 178 CG ASP A 14 -0.086 2.556 -2.919 1.00 0.00 C ATOM 179 OD1 ASP A 14 0.190 2.518 -1.730 1.00 0.00 O ATOM 180 OD2 ASP A 14 0.206 1.678 -3.713 1.00 0.00 O ATOM 0 H ASP A 14 -1.122 5.775 -4.830 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.178 5.318 -2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.846 3.814 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.976 3.701 -4.528 1.00 0.00 H new ATOM 185 N GLN A 15 2.245 5.262 -2.439 1.00 0.00 N ATOM 186 CA GLN A 15 3.719 5.122 -2.632 1.00 0.00 C ATOM 187 C GLN A 15 4.261 4.047 -1.682 1.00 0.00 C ATOM 188 O GLN A 15 5.247 4.246 -0.995 1.00 0.00 O ATOM 189 CB GLN A 15 4.300 6.503 -2.298 1.00 0.00 C ATOM 190 CG GLN A 15 3.840 7.528 -3.343 1.00 0.00 C ATOM 191 CD GLN A 15 4.318 7.102 -4.736 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.518 6.771 -5.588 1.00 0.00 O ATOM 193 NE2 GLN A 15 5.597 7.094 -5.006 1.00 0.00 N ATOM 0 H GLN A 15 1.963 5.650 -1.539 1.00 0.00 H new ATOM 0 HA GLN A 15 3.986 4.816 -3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.976 6.813 -1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.389 6.454 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.753 7.610 -3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.237 8.513 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.271 7.372 -4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.921 6.810 -5.931 1.00 0.00 H new ATOM 202 N CYS A 16 3.616 2.903 -1.642 1.00 0.00 N ATOM 203 CA CYS A 16 4.078 1.802 -0.741 1.00 0.00 C ATOM 204 C CYS A 16 5.376 1.186 -1.278 1.00 0.00 C ATOM 205 O CYS A 16 5.626 1.180 -2.469 1.00 0.00 O ATOM 206 CB CYS A 16 2.946 0.769 -0.745 1.00 0.00 C ATOM 207 SG CYS A 16 2.526 0.328 0.961 1.00 0.00 S ATOM 0 H CYS A 16 2.788 2.686 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 16 4.290 2.160 0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.071 1.174 -1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.252 -0.120 -1.297 1.00 0.00 H new ATOM 212 N CYS A 17 6.202 0.674 -0.401 1.00 0.00 N ATOM 213 CA CYS A 17 7.495 0.059 -0.841 1.00 0.00 C ATOM 214 C CYS A 17 7.239 -1.173 -1.720 1.00 0.00 C ATOM 215 O CYS A 17 6.597 -2.121 -1.304 1.00 0.00 O ATOM 216 CB CYS A 17 8.207 -0.342 0.456 1.00 0.00 C ATOM 217 SG CYS A 17 9.707 0.651 0.654 1.00 0.00 S ATOM 0 H CYS A 17 6.037 0.655 0.605 1.00 0.00 H new ATOM 0 HA CYS A 17 8.091 0.748 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.544 -0.192 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.460 -1.402 0.431 1.00 0.00 H new ATOM 222 N LYS A 18 7.743 -1.164 -2.932 1.00 0.00 N ATOM 223 CA LYS A 18 7.538 -2.334 -3.847 1.00 0.00 C ATOM 224 C LYS A 18 8.383 -3.538 -3.395 1.00 0.00 C ATOM 225 O LYS A 18 8.119 -4.661 -3.782 1.00 0.00 O ATOM 226 CB LYS A 18 7.993 -1.855 -5.230 1.00 0.00 C ATOM 227 CG LYS A 18 7.249 -2.644 -6.313 1.00 0.00 C ATOM 228 CD LYS A 18 8.104 -2.717 -7.582 1.00 0.00 C ATOM 229 CE LYS A 18 8.593 -4.155 -7.791 1.00 0.00 C ATOM 230 NZ LYS A 18 9.246 -4.156 -9.132 1.00 0.00 N ATOM 0 H LYS A 18 8.287 -0.397 -3.327 1.00 0.00 H new ATOM 0 HA LYS A 18 6.499 -2.662 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.795 -0.789 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.069 -1.993 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.026 -3.649 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.295 -2.166 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.522 -2.391 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.955 -2.041 -7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.295 -4.449 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.764 -4.862 -7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.605 -5.109 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.552 -3.880 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.036 -3.480 -9.134 1.00 0.00 H new ATOM 244 N SER A 19 9.393 -3.315 -2.582 1.00 0.00 N ATOM 245 CA SER A 19 10.250 -4.450 -2.108 1.00 0.00 C ATOM 246 C SER A 19 9.412 -5.482 -1.337 1.00 0.00 C ATOM 247 O SER A 19 9.650 -6.671 -1.428 1.00 0.00 O ATOM 248 CB SER A 19 11.296 -3.811 -1.188 1.00 0.00 C ATOM 249 OG SER A 19 10.642 -3.096 -0.145 1.00 0.00 O ATOM 0 H SER A 19 9.659 -2.396 -2.228 1.00 0.00 H new ATOM 0 HA SER A 19 10.710 -4.982 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.942 -4.581 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.935 -3.137 -1.759 1.00 0.00 H new ATOM 0 HG SER A 19 11.312 -2.690 0.443 1.00 0.00 H new ATOM 255 N SER A 20 8.435 -5.037 -0.582 1.00 0.00 N ATOM 256 CA SER A 20 7.584 -5.996 0.190 1.00 0.00 C ATOM 257 C SER A 20 6.231 -6.220 -0.509 1.00 0.00 C ATOM 258 O SER A 20 5.334 -6.816 0.057 1.00 0.00 O ATOM 259 CB SER A 20 7.383 -5.333 1.553 1.00 0.00 C ATOM 260 OG SER A 20 6.874 -6.292 2.472 1.00 0.00 O ATOM 0 H SER A 20 8.191 -4.053 -0.468 1.00 0.00 H new ATOM 0 HA SER A 20 8.051 -6.977 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.328 -4.930 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.692 -4.495 1.464 1.00 0.00 H new ATOM 0 HG SER A 20 6.189 -6.837 2.031 1.00 0.00 H new ATOM 266 N ASN A 21 6.080 -5.756 -1.734 1.00 0.00 N ATOM 267 CA ASN A 21 4.791 -5.943 -2.478 1.00 0.00 C ATOM 268 C ASN A 21 3.604 -5.434 -1.645 1.00 0.00 C ATOM 269 O ASN A 21 2.810 -6.204 -1.135 1.00 0.00 O ATOM 270 CB ASN A 21 4.686 -7.454 -2.728 1.00 0.00 C ATOM 271 CG ASN A 21 4.573 -7.718 -4.232 1.00 0.00 C ATOM 272 OD1 ASN A 21 5.513 -7.503 -4.971 1.00 0.00 O ATOM 273 ND2 ASN A 21 3.452 -8.178 -4.721 1.00 0.00 N ATOM 0 H ASN A 21 6.801 -5.253 -2.251 1.00 0.00 H new ATOM 0 HA ASN A 21 4.771 -5.380 -3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.562 -7.962 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.816 -7.859 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.367 -8.356 -5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.662 -8.359 -4.102 1.00 0.00 H new ATOM 280 N LEU A 22 3.482 -4.137 -1.503 1.00 0.00 N ATOM 281 CA LEU A 22 2.354 -3.570 -0.703 1.00 0.00 C ATOM 282 C LEU A 22 1.536 -2.588 -1.552 1.00 0.00 C ATOM 283 O LEU A 22 2.077 -1.811 -2.317 1.00 0.00 O ATOM 284 CB LEU A 22 3.018 -2.842 0.469 1.00 0.00 C ATOM 285 CG LEU A 22 3.582 -3.862 1.462 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.503 -3.150 2.457 1.00 0.00 C ATOM 287 CD2 LEU A 22 2.432 -4.531 2.222 1.00 0.00 C ATOM 0 H LEU A 22 4.115 -3.447 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 22 1.665 -4.344 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.817 -2.197 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.293 -2.199 0.967 1.00 0.00 H new ATOM 0 HG LEU A 22 4.147 -4.620 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.905 -3.876 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.323 -2.676 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.937 -2.391 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.836 -5.257 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.865 -3.774 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.776 -5.039 1.515 1.00 0.00 H new ATOM 299 N VAL A 23 0.234 -2.622 -1.417 1.00 0.00 N ATOM 300 CA VAL A 23 -0.640 -1.695 -2.204 1.00 0.00 C ATOM 301 C VAL A 23 -1.714 -1.088 -1.292 1.00 0.00 C ATOM 302 O VAL A 23 -2.148 -1.707 -0.339 1.00 0.00 O ATOM 303 CB VAL A 23 -1.285 -2.557 -3.301 1.00 0.00 C ATOM 304 CG1 VAL A 23 -0.216 -2.999 -4.304 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.945 -3.798 -2.683 1.00 0.00 C ATOM 0 H VAL A 23 -0.265 -3.255 -0.792 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.074 -0.868 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.045 -1.965 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.676 -3.610 -5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.243 -2.120 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.548 -3.582 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.398 -4.400 -3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.192 -4.389 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.714 -3.487 -1.976 1.00 0.00 H new ATOM 315 N CYS A 24 -2.146 0.115 -1.575 1.00 0.00 N ATOM 316 CA CYS A 24 -3.190 0.752 -0.716 1.00 0.00 C ATOM 317 C CYS A 24 -4.588 0.293 -1.144 1.00 0.00 C ATOM 318 O CYS A 24 -4.983 0.455 -2.284 1.00 0.00 O ATOM 319 CB CYS A 24 -3.031 2.261 -0.917 1.00 0.00 C ATOM 320 SG CYS A 24 -2.863 3.064 0.697 1.00 0.00 S ATOM 0 H CYS A 24 -1.823 0.681 -2.360 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.073 0.475 0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.155 2.467 -1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.895 2.662 -1.448 1.00 0.00 H new ATOM 325 N SER A 25 -5.337 -0.277 -0.233 1.00 0.00 N ATOM 326 CA SER A 25 -6.714 -0.749 -0.573 1.00 0.00 C ATOM 327 C SER A 25 -7.748 0.318 -0.196 1.00 0.00 C ATOM 328 O SER A 25 -7.527 1.125 0.688 1.00 0.00 O ATOM 329 CB SER A 25 -6.922 -2.017 0.260 1.00 0.00 C ATOM 330 OG SER A 25 -7.455 -3.041 -0.569 1.00 0.00 O ATOM 0 H SER A 25 -5.053 -0.436 0.734 1.00 0.00 H new ATOM 0 HA SER A 25 -6.830 -0.942 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.976 -2.340 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.600 -1.814 1.089 1.00 0.00 H new ATOM 0 HG SER A 25 -8.136 -3.542 -0.073 1.00 0.00 H new ATOM 336 N ARG A 26 -8.875 0.322 -0.862 1.00 0.00 N ATOM 337 CA ARG A 26 -9.934 1.333 -0.550 1.00 0.00 C ATOM 338 C ARG A 26 -10.819 0.864 0.618 1.00 0.00 C ATOM 339 O ARG A 26 -11.599 1.631 1.151 1.00 0.00 O ATOM 340 CB ARG A 26 -10.758 1.455 -1.834 1.00 0.00 C ATOM 341 CG ARG A 26 -10.034 2.378 -2.818 1.00 0.00 C ATOM 342 CD ARG A 26 -10.321 1.927 -4.254 1.00 0.00 C ATOM 343 NE ARG A 26 -11.463 2.771 -4.710 1.00 0.00 N ATOM 344 CZ ARG A 26 -12.016 2.548 -5.872 1.00 0.00 C ATOM 345 NH1 ARG A 26 -11.488 3.059 -6.955 1.00 0.00 N ATOM 346 NH2 ARG A 26 -13.095 1.814 -5.952 1.00 0.00 N ATOM 0 H ARG A 26 -9.109 -0.331 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.504 2.287 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.903 0.471 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.748 1.851 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.364 3.407 -2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.961 2.359 -2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.449 2.067 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.575 0.868 -4.290 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.812 3.522 -4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.646 3.631 -6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.919 2.886 -7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.505 1.416 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.527 1.640 -6.859 1.00 0.00 H new ATOM 360 N ALA A 27 -10.705 -0.384 1.019 1.00 0.00 N ATOM 361 CA ALA A 27 -11.540 -0.894 2.155 1.00 0.00 C ATOM 362 C ALA A 27 -11.267 -0.081 3.425 1.00 0.00 C ATOM 363 O ALA A 27 -12.181 0.335 4.113 1.00 0.00 O ATOM 364 CB ALA A 27 -11.110 -2.351 2.348 1.00 0.00 C ATOM 0 H ALA A 27 -10.070 -1.069 0.608 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.607 -0.809 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.679 -2.793 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.297 -2.910 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.047 -2.388 2.585 1.00 0.00 H new ATOM 370 N HIS A 28 -10.017 0.151 3.733 1.00 0.00 N ATOM 371 CA HIS A 28 -9.670 0.942 4.954 1.00 0.00 C ATOM 372 C HIS A 28 -8.624 2.022 4.627 1.00 0.00 C ATOM 373 O HIS A 28 -7.970 2.539 5.514 1.00 0.00 O ATOM 374 CB HIS A 28 -9.095 -0.083 5.936 1.00 0.00 C ATOM 375 CG HIS A 28 -10.091 -0.340 7.033 1.00 0.00 C ATOM 376 ND1 HIS A 28 -10.401 0.614 7.989 1.00 0.00 N ATOM 377 CD2 HIS A 28 -10.857 -1.438 7.336 1.00 0.00 C ATOM 378 CE1 HIS A 28 -11.318 0.077 8.814 1.00 0.00 C ATOM 379 NE2 HIS A 28 -11.631 -1.173 8.462 1.00 0.00 N ATOM 0 H HIS A 28 -9.218 -0.174 3.190 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.536 1.464 5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.864 -1.012 5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.160 0.286 6.358 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.859 -2.367 6.784 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.749 0.594 9.659 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.294 -1.798 8.920 1.00 0.00 H new ATOM 387 N ARG A 29 -8.467 2.367 3.364 1.00 0.00 N ATOM 388 CA ARG A 29 -7.466 3.414 2.970 1.00 0.00 C ATOM 389 C ARG A 29 -6.109 3.144 3.639 1.00 0.00 C ATOM 390 O ARG A 29 -5.557 3.995 4.313 1.00 0.00 O ATOM 391 CB ARG A 29 -8.063 4.743 3.450 1.00 0.00 C ATOM 392 CG ARG A 29 -9.047 5.273 2.402 1.00 0.00 C ATOM 393 CD ARG A 29 -9.271 6.773 2.617 1.00 0.00 C ATOM 394 NE ARG A 29 -8.523 7.439 1.513 1.00 0.00 N ATOM 395 CZ ARG A 29 -7.534 8.249 1.788 1.00 0.00 C ATOM 396 NH1 ARG A 29 -6.354 7.766 2.077 1.00 0.00 N ATOM 397 NH2 ARG A 29 -7.726 9.542 1.772 1.00 0.00 N ATOM 0 H ARG A 29 -8.993 1.965 2.588 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.282 3.421 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.573 4.601 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.269 5.470 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.658 5.094 1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.995 4.740 2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.331 7.022 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.901 7.091 3.592 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.783 7.263 0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.205 6.757 2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.583 8.398 2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.647 9.918 1.545 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.955 10.175 1.986 1.00 0.00 H new ATOM 411 N TRP A 30 -5.572 1.962 3.456 1.00 0.00 N ATOM 412 CA TRP A 30 -4.253 1.624 4.079 1.00 0.00 C ATOM 413 C TRP A 30 -3.446 0.694 3.161 1.00 0.00 C ATOM 414 O TRP A 30 -3.959 0.161 2.196 1.00 0.00 O ATOM 415 CB TRP A 30 -4.593 0.931 5.410 1.00 0.00 C ATOM 416 CG TRP A 30 -5.014 -0.489 5.171 1.00 0.00 C ATOM 417 CD1 TRP A 30 -6.065 -0.869 4.410 1.00 0.00 C ATOM 418 CD2 TRP A 30 -4.415 -1.716 5.680 1.00 0.00 C ATOM 419 NE1 TRP A 30 -6.149 -2.249 4.418 1.00 0.00 N ATOM 420 CE2 TRP A 30 -5.154 -2.816 5.188 1.00 0.00 C ATOM 421 CE3 TRP A 30 -3.312 -1.977 6.513 1.00 0.00 C ATOM 422 CZ2 TRP A 30 -4.813 -4.130 5.511 1.00 0.00 C ATOM 423 CZ3 TRP A 30 -2.966 -3.299 6.840 1.00 0.00 C ATOM 424 CH2 TRP A 30 -3.715 -4.372 6.339 1.00 0.00 C ATOM 0 H TRP A 30 -5.991 1.215 2.901 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.638 2.510 4.238 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.726 0.953 6.070 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -5.392 1.473 5.915 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -6.731 -0.203 3.882 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.859 -2.782 3.916 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -2.728 -1.157 6.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.394 -4.954 5.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.118 -3.489 7.481 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.443 -5.386 6.593 1.00 0.00 H new ATOM 435 N CYS A 31 -2.186 0.503 3.459 1.00 0.00 N ATOM 436 CA CYS A 31 -1.330 -0.384 2.609 1.00 0.00 C ATOM 437 C CYS A 31 -1.387 -1.835 3.106 1.00 0.00 C ATOM 438 O CYS A 31 -1.203 -2.109 4.277 1.00 0.00 O ATOM 439 CB CYS A 31 0.090 0.175 2.749 1.00 0.00 C ATOM 440 SG CYS A 31 0.605 0.918 1.179 1.00 0.00 S ATOM 0 H CYS A 31 -1.710 0.924 4.257 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.665 -0.396 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.122 0.920 3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.779 -0.621 3.030 1.00 0.00 H new ATOM 445 N LYS A 32 -1.636 -2.762 2.213 1.00 0.00 N ATOM 446 CA LYS A 32 -1.704 -4.205 2.609 1.00 0.00 C ATOM 447 C LYS A 32 -0.888 -5.064 1.633 1.00 0.00 C ATOM 448 O LYS A 32 -0.459 -4.601 0.593 1.00 0.00 O ATOM 449 CB LYS A 32 -3.191 -4.577 2.543 1.00 0.00 C ATOM 450 CG LYS A 32 -3.723 -4.380 1.117 1.00 0.00 C ATOM 451 CD LYS A 32 -5.039 -5.146 0.951 1.00 0.00 C ATOM 452 CE LYS A 32 -5.070 -5.817 -0.427 1.00 0.00 C ATOM 453 NZ LYS A 32 -6.515 -6.045 -0.717 1.00 0.00 N ATOM 0 H LYS A 32 -1.796 -2.581 1.222 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.291 -4.375 3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.328 -5.614 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.759 -3.960 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.880 -3.320 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.990 -4.734 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.136 -5.897 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.884 -4.465 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.611 -5.182 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.516 -6.756 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.617 -6.471 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.916 -6.686 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.022 -5.137 -0.691 1.00 0.00 H new ATOM 467 N TYR A 33 -0.676 -6.314 1.962 1.00 0.00 N ATOM 468 CA TYR A 33 0.107 -7.207 1.056 1.00 0.00 C ATOM 469 C TYR A 33 -0.836 -7.964 0.114 1.00 0.00 C ATOM 470 O TYR A 33 -1.922 -8.360 0.494 1.00 0.00 O ATOM 471 CB TYR A 33 0.839 -8.183 1.984 1.00 0.00 C ATOM 472 CG TYR A 33 1.690 -9.122 1.159 1.00 0.00 C ATOM 473 CD1 TYR A 33 2.968 -8.728 0.746 1.00 0.00 C ATOM 474 CD2 TYR A 33 1.198 -10.385 0.803 1.00 0.00 C ATOM 475 CE1 TYR A 33 3.753 -9.593 -0.025 1.00 0.00 C ATOM 476 CE2 TYR A 33 1.984 -11.251 0.034 1.00 0.00 C ATOM 477 CZ TYR A 33 3.261 -10.855 -0.380 1.00 0.00 C ATOM 478 OH TYR A 33 4.035 -11.708 -1.141 1.00 0.00 O ATOM 0 H TYR A 33 -1.012 -6.754 2.819 1.00 0.00 H new ATOM 0 HA TYR A 33 0.802 -6.648 0.429 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.464 -7.633 2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.119 -8.751 2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.349 -7.756 1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.212 -10.690 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.738 -9.287 -0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.605 -12.225 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 33 3.545 -12.542 -1.297 1.00 0.00 H new ATOM 488 N GLU A 34 -0.421 -8.173 -1.111 1.00 0.00 N ATOM 489 CA GLU A 34 -1.283 -8.911 -2.081 1.00 0.00 C ATOM 490 C GLU A 34 -0.720 -10.316 -2.313 1.00 0.00 C ATOM 491 O GLU A 34 0.398 -10.480 -2.766 1.00 0.00 O ATOM 492 CB GLU A 34 -1.236 -8.087 -3.372 1.00 0.00 C ATOM 493 CG GLU A 34 -2.623 -8.075 -4.024 1.00 0.00 C ATOM 494 CD GLU A 34 -2.999 -9.494 -4.461 1.00 0.00 C ATOM 495 OE1 GLU A 34 -2.493 -9.932 -5.481 1.00 0.00 O ATOM 496 OE2 GLU A 34 -3.784 -10.119 -3.767 1.00 0.00 O ATOM 0 H GLU A 34 0.478 -7.864 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.305 -9.031 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.917 -7.068 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.503 -8.510 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.363 -7.692 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.625 -7.406 -4.885 1.00 0.00 H new ATOM 503 N ILE A 35 -1.487 -11.331 -2.005 1.00 0.00 N ATOM 504 CA ILE A 35 -0.996 -12.731 -2.205 1.00 0.00 C ATOM 505 C ILE A 35 -1.315 -13.220 -3.628 1.00 0.00 C ATOM 506 O ILE A 35 -0.565 -14.042 -4.128 1.00 0.00 O ATOM 507 CB ILE A 35 -1.730 -13.573 -1.150 1.00 0.00 C ATOM 508 CG1 ILE A 35 -1.085 -14.963 -1.071 1.00 0.00 C ATOM 509 CG2 ILE A 35 -3.210 -13.719 -1.523 1.00 0.00 C ATOM 510 CD1 ILE A 35 -0.774 -15.309 0.387 1.00 0.00 C ATOM 0 H ILE A 35 -2.430 -11.253 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 35 0.086 -12.805 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.656 -13.074 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.756 -15.710 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.169 -14.983 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.718 -14.318 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.671 -12.733 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.294 -14.211 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.316 -16.297 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.087 -14.569 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.697 -15.307 0.966 1.00 0.00 H new HETATM 522 N NH2 A 36 -1.599 -12.192 -4.392 1.00 0.00 N TER 525 NH2 A 36