USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 SER OG : rot -140:sc= 0.642 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 178:sc= 0.667 (180deg=-0.0148) USER MOD Single : A 12 THR OG1 : rot -137:sc= 1.87 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 14 ASN : amide:sc= -0.0101 K(o=-0.01,f=-0.8) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.83 K(o=1.8,f=-4.5!) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.035) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -133:sc=0.000377 (180deg=-0.0507) USER MOD Single : A 41 CYS SG : rot 43:sc= 0.272 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0603) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.682 K(o=0.68,f=-2.6) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -55:sc= 0.617 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 90 ASN : amide:sc=-0.00951 X(o=-0.0095,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 3.671 -11.806 -2.500 1.00 0.00 N ATOM 50 CA GLU A 4 3.178 -12.567 -1.358 1.00 0.00 C ATOM 51 C GLU A 4 2.273 -11.680 -0.506 1.00 0.00 C ATOM 52 O GLU A 4 2.392 -10.454 -0.551 1.00 0.00 O ATOM 53 CB GLU A 4 4.380 -13.109 -0.567 1.00 0.00 C ATOM 54 CG GLU A 4 4.052 -14.034 0.615 1.00 0.00 C ATOM 55 CD GLU A 4 3.186 -15.224 0.207 1.00 0.00 C ATOM 56 OE1 GLU A 4 3.772 -16.251 -0.197 1.00 0.00 O ATOM 57 OE2 GLU A 4 1.949 -15.071 0.299 1.00 0.00 O ATOM 0 HA GLU A 4 2.580 -13.418 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.028 -13.650 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.953 -12.262 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.980 -14.399 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.537 -13.462 1.387 1.00 0.00 H new ATOM 64 N ILE A 5 1.359 -12.300 0.245 1.00 0.00 N ATOM 65 CA ILE A 5 0.501 -11.588 1.184 1.00 0.00 C ATOM 66 C ILE A 5 1.319 -11.297 2.446 1.00 0.00 C ATOM 67 O ILE A 5 2.074 -12.155 2.903 1.00 0.00 O ATOM 68 CB ILE A 5 -0.778 -12.383 1.513 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.566 -12.822 0.261 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.728 -11.547 2.384 1.00 0.00 C ATOM 71 CD1 ILE A 5 -1.142 -14.179 -0.307 1.00 0.00 C ATOM 0 H ILE A 5 1.196 -13.307 0.216 1.00 0.00 H new ATOM 0 HA ILE A 5 0.165 -10.654 0.733 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.434 -13.274 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.627 -12.860 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.447 -12.064 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.624 -12.127 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.229 -11.282 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.006 -10.638 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.746 -14.411 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.090 -14.142 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.288 -14.951 0.448 1.00 0.00 H new ATOM 83 N ILE A 6 1.172 -10.096 3.006 1.00 0.00 N ATOM 84 CA ILE A 6 1.799 -9.691 4.253 1.00 0.00 C ATOM 85 C ILE A 6 0.752 -9.640 5.368 1.00 0.00 C ATOM 86 O ILE A 6 -0.441 -9.473 5.113 1.00 0.00 O ATOM 87 CB ILE A 6 2.527 -8.347 4.086 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.602 -7.203 3.638 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.699 -8.524 3.112 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.243 -5.823 3.811 1.00 0.00 C ATOM 0 H ILE A 6 0.598 -9.363 2.590 1.00 0.00 H new ATOM 0 HA ILE A 6 2.552 -10.428 4.532 1.00 0.00 H new ATOM 0 HB ILE A 6 2.900 -8.052 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.335 -7.346 2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.676 -7.244 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.218 -7.573 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.391 -9.268 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.322 -8.857 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.546 -5.054 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.486 -5.664 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.154 -5.768 3.216 1.00 0.00 H new ATOM 102 N ASP A 7 1.207 -9.811 6.611 1.00 0.00 N ATOM 103 CA ASP A 7 0.349 -9.799 7.779 1.00 0.00 C ATOM 104 C ASP A 7 -0.235 -8.402 7.978 1.00 0.00 C ATOM 105 O ASP A 7 0.424 -7.390 7.725 1.00 0.00 O ATOM 106 CB ASP A 7 1.149 -10.205 9.024 1.00 0.00 C ATOM 107 CG ASP A 7 1.741 -11.603 8.893 1.00 0.00 C ATOM 108 OD1 ASP A 7 2.827 -11.696 8.281 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.094 -12.545 9.399 1.00 0.00 O ATOM 0 H ASP A 7 2.192 -9.963 6.828 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.462 -10.511 7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.951 -9.486 9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.501 -10.167 9.900 1.00 0.00 H new ATOM 114 N ILE A 8 -1.473 -8.367 8.463 1.00 0.00 N ATOM 115 CA ILE A 8 -2.115 -7.173 8.957 1.00 0.00 C ATOM 116 C ILE A 8 -1.667 -6.974 10.411 1.00 0.00 C ATOM 117 O ILE A 8 -1.807 -7.877 11.235 1.00 0.00 O ATOM 118 CB ILE A 8 -3.634 -7.323 8.810 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.192 -8.698 9.232 1.00 0.00 C ATOM 120 CG2 ILE A 8 -4.037 -6.994 7.366 1.00 0.00 C ATOM 121 CD1 ILE A 8 -5.708 -8.665 9.451 1.00 0.00 C ATOM 0 H ILE A 8 -2.065 -9.195 8.521 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.832 -6.286 8.389 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.082 -6.616 9.508 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.953 -9.436 8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.701 -9.021 10.150 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.116 -7.099 7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.747 -5.970 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.535 -7.679 6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.055 -9.655 9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.947 -7.948 10.236 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.203 -8.369 8.526 1.00 0.00 H new ATOM 133 N GLY A 9 -1.068 -5.820 10.709 1.00 0.00 N ATOM 134 CA GLY A 9 -0.480 -5.530 12.006 1.00 0.00 C ATOM 135 C GLY A 9 0.024 -4.087 12.006 1.00 0.00 C ATOM 136 O GLY A 9 -0.327 -3.332 11.096 1.00 0.00 O ATOM 0 H GLY A 9 -0.979 -5.053 10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.218 -5.672 12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.341 -6.217 12.210 1.00 0.00 H new ATOM 140 N PRO A 10 0.863 -3.692 12.977 1.00 0.00 N ATOM 141 CA PRO A 10 1.270 -2.306 13.156 1.00 0.00 C ATOM 142 C PRO A 10 1.908 -1.721 11.894 1.00 0.00 C ATOM 143 O PRO A 10 1.621 -0.584 11.536 1.00 0.00 O ATOM 144 CB PRO A 10 2.207 -2.289 14.369 1.00 0.00 C ATOM 145 CG PRO A 10 2.652 -3.743 14.525 1.00 0.00 C ATOM 146 CD PRO A 10 1.451 -4.534 14.006 1.00 0.00 C ATOM 0 HA PRO A 10 0.409 -1.663 13.336 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.058 -1.628 14.205 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.694 -1.932 15.262 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.552 -3.953 13.947 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.876 -3.986 15.564 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.759 -5.497 13.600 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.738 -4.738 14.805 1.00 0.00 H new ATOM 154 N PHE A 11 2.761 -2.483 11.205 1.00 0.00 N ATOM 155 CA PHE A 11 3.387 -2.044 9.967 1.00 0.00 C ATOM 156 C PHE A 11 2.329 -1.701 8.910 1.00 0.00 C ATOM 157 O PHE A 11 2.362 -0.646 8.278 1.00 0.00 O ATOM 158 CB PHE A 11 4.357 -3.128 9.475 1.00 0.00 C ATOM 159 CG PHE A 11 5.336 -2.654 8.419 1.00 0.00 C ATOM 160 CD1 PHE A 11 4.985 -2.693 7.056 1.00 0.00 C ATOM 161 CD2 PHE A 11 6.620 -2.212 8.795 1.00 0.00 C ATOM 162 CE1 PHE A 11 5.921 -2.318 6.078 1.00 0.00 C ATOM 163 CE2 PHE A 11 7.554 -1.837 7.814 1.00 0.00 C ATOM 164 CZ PHE A 11 7.207 -1.893 6.454 1.00 0.00 C ATOM 0 H PHE A 11 3.034 -3.422 11.495 1.00 0.00 H new ATOM 0 HA PHE A 11 3.955 -1.132 10.151 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.917 -3.512 10.327 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.780 -3.960 9.072 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.996 -3.011 6.762 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.887 -2.161 9.840 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.651 -2.356 5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.539 -1.505 8.106 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.926 -1.610 5.699 1.00 0.00 H new ATOM 174 N THR A 12 1.374 -2.605 8.709 1.00 0.00 N ATOM 175 CA THR A 12 0.297 -2.473 7.747 1.00 0.00 C ATOM 176 C THR A 12 -0.581 -1.275 8.117 1.00 0.00 C ATOM 177 O THR A 12 -0.908 -0.446 7.268 1.00 0.00 O ATOM 178 CB THR A 12 -0.488 -3.802 7.711 1.00 0.00 C ATOM 179 OG1 THR A 12 0.194 -4.784 8.486 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.658 -4.306 6.268 1.00 0.00 C ATOM 0 H THR A 12 1.332 -3.479 9.233 1.00 0.00 H new ATOM 0 HA THR A 12 0.682 -2.281 6.746 1.00 0.00 H new ATOM 0 HB THR A 12 -1.479 -3.626 8.130 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.194 -5.638 8.005 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.214 -5.243 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.203 -3.564 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.323 -4.469 5.822 1.00 0.00 H new ATOM 188 N GLN A 13 -0.959 -1.185 9.395 1.00 0.00 N ATOM 189 CA GLN A 13 -1.698 -0.059 9.923 1.00 0.00 C ATOM 190 C GLN A 13 -0.956 1.244 9.620 1.00 0.00 C ATOM 191 O GLN A 13 -1.552 2.175 9.088 1.00 0.00 O ATOM 192 CB GLN A 13 -1.902 -0.260 11.425 1.00 0.00 C ATOM 193 CG GLN A 13 -2.888 -1.397 11.723 1.00 0.00 C ATOM 194 CD GLN A 13 -2.861 -1.756 13.204 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.280 -2.762 13.598 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.493 -0.939 14.042 1.00 0.00 N ATOM 0 H GLN A 13 -0.754 -1.903 10.090 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.677 0.007 9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.943 -0.479 11.895 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.271 0.665 11.868 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.895 -1.097 11.434 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.633 -2.273 11.126 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.968 -0.110 13.685 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.503 -1.142 15.042 1.00 0.00 H new ATOM 205 N ASN A 14 0.345 1.290 9.921 1.00 0.00 N ATOM 206 CA ASN A 14 1.199 2.443 9.651 1.00 0.00 C ATOM 207 C ASN A 14 1.149 2.810 8.171 1.00 0.00 C ATOM 208 O ASN A 14 0.920 3.967 7.836 1.00 0.00 O ATOM 209 CB ASN A 14 2.636 2.160 10.106 1.00 0.00 C ATOM 210 CG ASN A 14 3.582 3.339 9.883 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.161 4.479 9.728 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.886 3.078 9.882 1.00 0.00 N ATOM 0 H ASN A 14 0.838 0.515 10.365 1.00 0.00 H new ATOM 0 HA ASN A 14 0.828 3.296 10.219 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.631 1.902 11.165 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.016 1.291 9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.557 3.834 9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.215 2.121 10.013 1.00 0.00 H new ATOM 219 N LEU A 15 1.313 1.832 7.274 1.00 0.00 N ATOM 220 CA LEU A 15 1.183 2.078 5.840 1.00 0.00 C ATOM 221 C LEU A 15 -0.181 2.685 5.511 1.00 0.00 C ATOM 222 O LEU A 15 -0.260 3.663 4.770 1.00 0.00 O ATOM 223 CB LEU A 15 1.397 0.793 5.030 1.00 0.00 C ATOM 224 CG LEU A 15 2.875 0.427 4.835 1.00 0.00 C ATOM 225 CD1 LEU A 15 2.951 -0.959 4.193 1.00 0.00 C ATOM 226 CD2 LEU A 15 3.581 1.415 3.898 1.00 0.00 C ATOM 0 H LEU A 15 1.535 0.867 7.518 1.00 0.00 H new ATOM 0 HA LEU A 15 1.959 2.790 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.891 -0.031 5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.928 0.907 4.053 1.00 0.00 H new ATOM 0 HG LEU A 15 3.363 0.453 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.995 -1.236 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.470 -1.689 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.442 -0.942 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.625 1.125 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.092 1.405 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.528 2.418 4.320 1.00 0.00 H new ATOM 238 N GLY A 16 -1.254 2.116 6.063 1.00 0.00 N ATOM 239 CA GLY A 16 -2.603 2.620 5.847 1.00 0.00 C ATOM 240 C GLY A 16 -2.731 4.082 6.281 1.00 0.00 C ATOM 241 O GLY A 16 -3.102 4.951 5.494 1.00 0.00 O ATOM 0 H GLY A 16 -1.209 1.297 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.862 2.528 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.314 2.010 6.404 1.00 0.00 H new ATOM 245 N LYS A 17 -2.398 4.349 7.542 1.00 0.00 N ATOM 246 CA LYS A 17 -2.391 5.658 8.152 1.00 0.00 C ATOM 247 C LYS A 17 -1.588 6.624 7.292 1.00 0.00 C ATOM 248 O LYS A 17 -2.066 7.698 6.972 1.00 0.00 O ATOM 249 CB LYS A 17 -1.789 5.536 9.565 1.00 0.00 C ATOM 250 CG LYS A 17 -2.425 6.479 10.587 1.00 0.00 C ATOM 251 CD LYS A 17 -2.349 7.920 10.088 1.00 0.00 C ATOM 252 CE LYS A 17 -2.708 8.911 11.200 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.649 10.302 10.715 1.00 0.00 N ATOM 0 H LYS A 17 -2.113 3.615 8.190 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.406 6.048 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.903 4.509 9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.719 5.738 9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.465 6.198 10.755 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.912 6.390 11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.344 8.128 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.028 8.052 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.709 8.696 11.573 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.022 8.786 12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.897 10.950 11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.687 10.513 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.322 10.425 9.932 1.00 0.00 H new ATOM 267 N PHE A 18 -0.373 6.238 6.918 1.00 0.00 N ATOM 268 CA PHE A 18 0.512 7.000 6.048 1.00 0.00 C ATOM 269 C PHE A 18 -0.182 7.335 4.730 1.00 0.00 C ATOM 270 O PHE A 18 -0.204 8.492 4.318 1.00 0.00 O ATOM 271 CB PHE A 18 1.817 6.220 5.825 1.00 0.00 C ATOM 272 CG PHE A 18 2.649 6.685 4.645 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.411 7.864 4.735 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.585 5.984 3.423 1.00 0.00 C ATOM 275 CE1 PHE A 18 4.136 8.320 3.620 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.301 6.448 2.307 1.00 0.00 C ATOM 277 CZ PHE A 18 4.089 7.607 2.409 1.00 0.00 C ATOM 0 H PHE A 18 0.036 5.355 7.224 1.00 0.00 H new ATOM 0 HA PHE A 18 0.761 7.947 6.528 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.423 6.291 6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.574 5.167 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.439 8.419 5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.985 5.089 3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.730 9.219 3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.246 5.914 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.658 7.950 1.558 1.00 0.00 H new ATOM 287 N ALA A 19 -0.768 6.333 4.077 1.00 0.00 N ATOM 288 CA ALA A 19 -1.477 6.529 2.822 1.00 0.00 C ATOM 289 C ALA A 19 -2.573 7.576 3.003 1.00 0.00 C ATOM 290 O ALA A 19 -2.659 8.541 2.241 1.00 0.00 O ATOM 291 CB ALA A 19 -2.033 5.197 2.308 1.00 0.00 C ATOM 0 H ALA A 19 -0.763 5.367 4.405 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.784 6.901 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.561 5.361 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.212 4.498 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.722 4.782 3.043 1.00 0.00 H new ATOM 297 N VAL A 20 -3.394 7.398 4.037 1.00 0.00 N ATOM 298 CA VAL A 20 -4.471 8.331 4.332 1.00 0.00 C ATOM 299 C VAL A 20 -3.905 9.705 4.691 1.00 0.00 C ATOM 300 O VAL A 20 -4.458 10.717 4.286 1.00 0.00 O ATOM 301 CB VAL A 20 -5.391 7.769 5.425 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.424 8.817 5.863 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.129 6.542 4.876 1.00 0.00 C ATOM 0 H VAL A 20 -3.330 6.612 4.684 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.084 8.461 3.440 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.782 7.496 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.064 8.395 6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.909 9.694 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.033 9.107 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.785 6.137 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.723 6.832 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.404 5.783 4.581 1.00 0.00 H new ATOM 313 N ASP A 21 -2.810 9.757 5.447 1.00 0.00 N ATOM 314 CA ASP A 21 -2.192 10.985 5.905 1.00 0.00 C ATOM 315 C ASP A 21 -1.709 11.792 4.704 1.00 0.00 C ATOM 316 O ASP A 21 -2.031 12.966 4.587 1.00 0.00 O ATOM 317 CB ASP A 21 -1.054 10.666 6.881 1.00 0.00 C ATOM 318 CG ASP A 21 -0.348 11.940 7.334 1.00 0.00 C ATOM 319 OD1 ASP A 21 -0.826 12.524 8.330 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.652 12.301 6.679 1.00 0.00 O ATOM 0 H ASP A 21 -2.320 8.920 5.763 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.921 11.592 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.451 10.138 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.337 9.999 6.403 1.00 0.00 H new ATOM 325 N GLU A 22 -0.975 11.146 3.797 1.00 0.00 N ATOM 326 CA GLU A 22 -0.528 11.733 2.544 1.00 0.00 C ATOM 327 C GLU A 22 -1.748 12.233 1.768 1.00 0.00 C ATOM 328 O GLU A 22 -1.819 13.395 1.371 1.00 0.00 O ATOM 329 CB GLU A 22 0.259 10.678 1.742 1.00 0.00 C ATOM 330 CG GLU A 22 0.819 11.223 0.421 1.00 0.00 C ATOM 331 CD GLU A 22 1.853 12.322 0.648 1.00 0.00 C ATOM 332 OE1 GLU A 22 3.019 11.955 0.909 1.00 0.00 O ATOM 333 OE2 GLU A 22 1.459 13.505 0.567 1.00 0.00 O ATOM 0 H GLU A 22 -0.671 10.180 3.920 1.00 0.00 H new ATOM 0 HA GLU A 22 0.133 12.580 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.081 10.305 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.392 9.830 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.273 10.409 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.002 11.614 -0.185 1.00 0.00 H new ATOM 340 N GLU A 23 -2.720 11.344 1.557 1.00 0.00 N ATOM 341 CA GLU A 23 -3.895 11.665 0.770 1.00 0.00 C ATOM 342 C GLU A 23 -4.652 12.860 1.355 1.00 0.00 C ATOM 343 O GLU A 23 -5.118 13.722 0.610 1.00 0.00 O ATOM 344 CB GLU A 23 -4.783 10.427 0.659 1.00 0.00 C ATOM 345 CG GLU A 23 -5.938 10.726 -0.292 1.00 0.00 C ATOM 346 CD GLU A 23 -6.593 9.448 -0.777 1.00 0.00 C ATOM 347 OE1 GLU A 23 -7.413 8.907 -0.010 1.00 0.00 O ATOM 348 OE2 GLU A 23 -6.251 9.046 -1.908 1.00 0.00 O ATOM 0 H GLU A 23 -2.709 10.393 1.926 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.583 11.960 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.203 9.580 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.166 10.150 1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.677 11.348 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.572 11.297 -1.145 1.00 0.00 H new ATOM 355 N ASN A 24 -4.768 12.904 2.682 1.00 0.00 N ATOM 356 CA ASN A 24 -5.428 13.949 3.432 1.00 0.00 C ATOM 357 C ASN A 24 -4.607 15.236 3.375 1.00 0.00 C ATOM 358 O ASN A 24 -5.174 16.319 3.267 1.00 0.00 O ATOM 359 CB ASN A 24 -5.605 13.501 4.889 1.00 0.00 C ATOM 360 CG ASN A 24 -6.755 12.516 5.126 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.427 12.057 4.206 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.023 12.207 6.394 1.00 0.00 N ATOM 0 H ASN A 24 -4.384 12.174 3.282 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.407 14.141 2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.677 13.041 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.768 14.383 5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.797 11.580 6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.454 12.598 7.145 1.00 0.00 H new ATOM 369 N LYS A 25 -3.278 15.125 3.454 1.00 0.00 N ATOM 370 CA LYS A 25 -2.373 16.263 3.353 1.00 0.00 C ATOM 371 C LYS A 25 -2.553 16.935 1.990 1.00 0.00 C ATOM 372 O LYS A 25 -2.660 18.155 1.905 1.00 0.00 O ATOM 373 CB LYS A 25 -0.930 15.792 3.588 1.00 0.00 C ATOM 374 CG LYS A 25 0.074 16.948 3.652 1.00 0.00 C ATOM 375 CD LYS A 25 1.483 16.374 3.857 1.00 0.00 C ATOM 376 CE LYS A 25 2.528 17.474 4.067 1.00 0.00 C ATOM 377 NZ LYS A 25 2.632 18.367 2.900 1.00 0.00 N ATOM 0 H LYS A 25 -2.801 14.234 3.591 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.603 17.005 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.885 15.227 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.641 15.111 2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.035 17.532 2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.180 17.623 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.481 15.707 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.759 15.773 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.266 18.059 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.499 17.019 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.407 19.044 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.823 17.803 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.739 18.885 2.779 1.00 0.00 H new ATOM 391 N ILE A 26 -2.599 16.132 0.923 1.00 0.00 N ATOM 392 CA ILE A 26 -2.942 16.617 -0.410 1.00 0.00 C ATOM 393 C ILE A 26 -4.395 17.117 -0.411 1.00 0.00 C ATOM 394 O ILE A 26 -4.711 18.127 -1.036 1.00 0.00 O ATOM 395 CB ILE A 26 -2.698 15.504 -1.449 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.202 15.130 -1.483 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.154 15.953 -2.847 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.927 13.839 -2.260 1.00 0.00 C ATOM 0 H ILE A 26 -2.400 15.132 0.962 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.305 17.457 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.281 14.631 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.639 15.947 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.838 15.018 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.972 15.152 -3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.219 16.186 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.595 16.840 -3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.142 13.628 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.465 13.013 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.263 13.956 -3.290 1.00 0.00 H new ATOM 410 N GLY A 27 -5.280 16.390 0.270 1.00 0.00 N ATOM 411 CA GLY A 27 -6.709 16.646 0.335 1.00 0.00 C ATOM 412 C GLY A 27 -7.430 16.015 -0.854 1.00 0.00 C ATOM 413 O GLY A 27 -8.556 16.398 -1.167 1.00 0.00 O ATOM 0 H GLY A 27 -5.003 15.572 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.112 16.245 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.890 17.721 0.347 1.00 0.00 H new ATOM 417 N GLN A 28 -6.805 15.031 -1.515 1.00 0.00 N ATOM 418 CA GLN A 28 -7.302 14.501 -2.783 1.00 0.00 C ATOM 419 C GLN A 28 -8.694 13.886 -2.617 1.00 0.00 C ATOM 420 O GLN A 28 -9.529 13.996 -3.511 1.00 0.00 O ATOM 421 CB GLN A 28 -6.294 13.506 -3.371 1.00 0.00 C ATOM 422 CG GLN A 28 -6.710 13.023 -4.767 1.00 0.00 C ATOM 423 CD GLN A 28 -5.627 12.152 -5.393 1.00 0.00 C ATOM 424 OE1 GLN A 28 -5.588 10.946 -5.175 1.00 0.00 O ATOM 425 NE2 GLN A 28 -4.736 12.753 -6.179 1.00 0.00 N ATOM 0 H GLN A 28 -5.948 14.586 -1.186 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.407 15.323 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.312 13.976 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.199 12.649 -2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.640 12.458 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.906 13.882 -5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.795 13.758 -6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.995 12.208 -6.619 1.00 0.00 H new ATOM 434 N TYR A 29 -8.937 13.255 -1.466 1.00 0.00 N ATOM 435 CA TYR A 29 -10.256 12.777 -1.065 1.00 0.00 C ATOM 436 C TYR A 29 -10.678 13.479 0.232 1.00 0.00 C ATOM 437 O TYR A 29 -11.266 12.876 1.129 1.00 0.00 O ATOM 438 CB TYR A 29 -10.224 11.252 -0.921 1.00 0.00 C ATOM 439 CG TYR A 29 -10.311 10.476 -2.224 1.00 0.00 C ATOM 440 CD1 TYR A 29 -9.160 10.241 -2.999 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.547 9.947 -2.640 1.00 0.00 C ATOM 442 CE1 TYR A 29 -9.239 9.448 -4.158 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.631 9.177 -3.812 1.00 0.00 C ATOM 444 CZ TYR A 29 -10.475 8.919 -4.566 1.00 0.00 C ATOM 445 OH TYR A 29 -10.554 8.167 -5.700 1.00 0.00 O ATOM 0 H TYR A 29 -8.210 13.060 -0.778 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.999 13.017 -1.825 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.303 10.971 -0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.050 10.947 -0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.214 10.670 -2.703 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.436 10.134 -2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.349 9.246 -4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.584 8.784 -4.133 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.480 7.878 -5.837 1.00 0.00 H new ATOM 455 N GLY A 30 -10.381 14.774 0.330 1.00 0.00 N ATOM 456 CA GLY A 30 -10.647 15.551 1.530 1.00 0.00 C ATOM 457 C GLY A 30 -9.945 14.931 2.740 1.00 0.00 C ATOM 458 O GLY A 30 -8.820 14.453 2.623 1.00 0.00 O ATOM 0 H GLY A 30 -9.949 15.310 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.304 16.576 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.721 15.596 1.710 1.00 0.00 H new ATOM 462 N ARG A 31 -10.612 14.942 3.897 1.00 0.00 N ATOM 463 CA ARG A 31 -10.118 14.371 5.140 1.00 0.00 C ATOM 464 C ARG A 31 -10.788 13.018 5.386 1.00 0.00 C ATOM 465 O ARG A 31 -11.859 12.971 5.988 1.00 0.00 O ATOM 466 CB ARG A 31 -10.437 15.328 6.295 1.00 0.00 C ATOM 467 CG ARG A 31 -9.538 16.570 6.291 1.00 0.00 C ATOM 468 CD ARG A 31 -9.917 17.467 7.474 1.00 0.00 C ATOM 469 NE ARG A 31 -8.938 18.544 7.662 1.00 0.00 N ATOM 470 CZ ARG A 31 -8.971 19.421 8.676 1.00 0.00 C ATOM 471 NH1 ARG A 31 -9.985 19.404 9.550 1.00 0.00 N ATOM 472 NH2 ARG A 31 -7.983 20.310 8.812 1.00 0.00 N ATOM 0 H ARG A 31 -11.537 15.362 3.991 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.040 14.226 5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.480 15.638 6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.320 14.801 7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.491 16.276 6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.653 17.115 5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.905 17.896 7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.980 16.867 8.382 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.186 18.631 6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.736 18.722 9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.006 20.073 10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.210 20.319 8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.002 20.980 9.581 1.00 0.00 H new ATOM 486 N LEU A 32 -10.162 11.919 4.964 1.00 0.00 N ATOM 487 CA LEU A 32 -10.664 10.588 5.277 1.00 0.00 C ATOM 488 C LEU A 32 -10.245 10.190 6.693 1.00 0.00 C ATOM 489 O LEU A 32 -9.114 10.445 7.109 1.00 0.00 O ATOM 490 CB LEU A 32 -10.136 9.563 4.274 1.00 0.00 C ATOM 491 CG LEU A 32 -10.471 9.878 2.811 1.00 0.00 C ATOM 492 CD1 LEU A 32 -9.810 8.803 1.947 1.00 0.00 C ATOM 493 CD2 LEU A 32 -11.985 9.889 2.563 1.00 0.00 C ATOM 0 H LEU A 32 -9.308 11.928 4.406 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.752 10.607 5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.053 9.494 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.544 8.584 4.525 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.100 10.872 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.028 8.996 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.731 8.823 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.199 7.823 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.180 10.116 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.401 8.911 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.451 10.648 3.192 1.00 0.00 H new ATOM 505 N THR A 33 -11.151 9.541 7.426 1.00 0.00 N ATOM 506 CA THR A 33 -10.940 9.100 8.795 1.00 0.00 C ATOM 507 C THR A 33 -10.452 7.653 8.768 1.00 0.00 C ATOM 508 O THR A 33 -11.258 6.724 8.762 1.00 0.00 O ATOM 509 CB THR A 33 -12.255 9.251 9.579 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.833 10.508 9.294 1.00 0.00 O ATOM 511 CG2 THR A 33 -12.027 9.130 11.088 1.00 0.00 C ATOM 0 H THR A 33 -12.076 9.304 7.068 1.00 0.00 H new ATOM 0 HA THR A 33 -10.184 9.706 9.295 1.00 0.00 H new ATOM 0 HB THR A 33 -12.925 8.448 9.270 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.671 10.603 9.792 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.977 9.242 11.610 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.602 8.152 11.314 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.339 9.910 11.416 1.00 0.00 H new ATOM 519 N PHE A 34 -9.133 7.451 8.709 1.00 0.00 N ATOM 520 CA PHE A 34 -8.546 6.118 8.725 1.00 0.00 C ATOM 521 C PHE A 34 -9.075 5.289 9.892 1.00 0.00 C ATOM 522 O PHE A 34 -9.098 5.764 11.026 1.00 0.00 O ATOM 523 CB PHE A 34 -7.025 6.215 8.814 1.00 0.00 C ATOM 524 CG PHE A 34 -6.313 4.893 9.001 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.243 3.975 7.938 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.728 4.575 10.240 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.517 2.784 8.091 1.00 0.00 C ATOM 528 CE2 PHE A 34 -4.975 3.398 10.380 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.849 2.515 9.296 1.00 0.00 C ATOM 0 H PHE A 34 -8.449 8.206 8.649 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.828 5.620 7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.652 6.687 7.905 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.765 6.872 9.644 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.747 4.186 7.006 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.858 5.236 11.084 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.472 2.073 7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.494 3.172 11.320 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.238 1.629 9.389 1.00 0.00 H new ATOM 539 N ASN A 35 -9.472 4.050 9.598 1.00 0.00 N ATOM 540 CA ASN A 35 -9.799 3.048 10.606 1.00 0.00 C ATOM 541 C ASN A 35 -8.653 2.044 10.706 1.00 0.00 C ATOM 542 O ASN A 35 -8.015 1.940 11.752 1.00 0.00 O ATOM 543 CB ASN A 35 -11.115 2.320 10.288 1.00 0.00 C ATOM 544 CG ASN A 35 -12.341 3.198 10.519 1.00 0.00 C ATOM 545 OD1 ASN A 35 -12.983 3.119 11.560 1.00 0.00 O ATOM 546 ND2 ASN A 35 -12.687 4.030 9.541 1.00 0.00 N ATOM 0 H ASN A 35 -9.576 3.713 8.641 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.935 3.557 11.560 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.101 1.988 9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.191 1.426 10.907 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.508 4.626 9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.131 4.072 8.687 1.00 0.00 H new ATOM 553 N LYS A 36 -8.425 1.268 9.641 1.00 0.00 N ATOM 554 CA LYS A 36 -7.473 0.165 9.648 1.00 0.00 C ATOM 555 C LYS A 36 -7.177 -0.267 8.209 1.00 0.00 C ATOM 556 O LYS A 36 -7.561 0.424 7.268 1.00 0.00 O ATOM 557 CB LYS A 36 -7.999 -0.991 10.523 1.00 0.00 C ATOM 558 CG LYS A 36 -9.321 -1.589 10.022 1.00 0.00 C ATOM 559 CD LYS A 36 -9.768 -2.697 10.985 1.00 0.00 C ATOM 560 CE LYS A 36 -11.046 -3.400 10.512 1.00 0.00 C ATOM 561 NZ LYS A 36 -12.188 -2.475 10.416 1.00 0.00 N ATOM 0 H LYS A 36 -8.901 1.393 8.748 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.531 0.488 10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.246 -1.778 10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.136 -0.630 11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.085 -0.814 9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.194 -1.992 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.969 -3.431 11.086 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.936 -2.270 11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.868 -3.857 9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.291 -4.207 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.020 -2.903 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.953 -1.583 10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.398 -2.285 9.415 1.00 0.00 H new ATOM 575 N VAL A 37 -6.510 -1.410 8.035 1.00 0.00 N ATOM 576 CA VAL A 37 -6.262 -2.043 6.750 1.00 0.00 C ATOM 577 C VAL A 37 -6.712 -3.495 6.893 1.00 0.00 C ATOM 578 O VAL A 37 -6.572 -4.056 7.981 1.00 0.00 O ATOM 579 CB VAL A 37 -4.764 -1.955 6.406 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.482 -2.504 5.005 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.262 -0.509 6.459 1.00 0.00 C ATOM 0 H VAL A 37 -6.116 -1.934 8.816 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.806 -1.552 5.943 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.241 -2.554 7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.416 -2.428 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.788 -3.549 4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.041 -1.927 4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.201 -0.483 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.817 0.095 5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.410 -0.109 7.462 1.00 0.00 H new ATOM 591 N ILE A 38 -7.255 -4.094 5.830 1.00 0.00 N ATOM 592 CA ILE A 38 -7.629 -5.503 5.808 1.00 0.00 C ATOM 593 C ILE A 38 -7.131 -6.162 4.521 1.00 0.00 C ATOM 594 O ILE A 38 -6.600 -5.501 3.629 1.00 0.00 O ATOM 595 CB ILE A 38 -9.147 -5.680 6.006 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.949 -4.910 4.947 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.555 -5.250 7.421 1.00 0.00 C ATOM 598 CD1 ILE A 38 -11.383 -5.431 4.843 1.00 0.00 C ATOM 0 H ILE A 38 -7.447 -3.607 4.955 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.146 -6.007 6.645 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.379 -6.738 5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.963 -3.850 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.457 -5.001 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.630 -5.381 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.028 -5.862 8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.297 -4.202 7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.922 -4.864 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.368 -6.485 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.882 -5.316 5.805 1.00 0.00 H new ATOM 610 N ARG A 39 -7.294 -7.484 4.448 1.00 0.00 N ATOM 611 CA ARG A 39 -6.908 -8.286 3.299 1.00 0.00 C ATOM 612 C ARG A 39 -7.711 -7.876 2.052 1.00 0.00 C ATOM 613 O ARG A 39 -8.856 -7.442 2.183 1.00 0.00 O ATOM 614 CB ARG A 39 -7.092 -9.786 3.603 1.00 0.00 C ATOM 615 CG ARG A 39 -8.406 -10.103 4.333 1.00 0.00 C ATOM 616 CD ARG A 39 -8.185 -10.235 5.848 1.00 0.00 C ATOM 617 NE ARG A 39 -9.406 -9.901 6.591 1.00 0.00 N ATOM 618 CZ ARG A 39 -9.528 -9.986 7.923 1.00 0.00 C ATOM 619 NH1 ARG A 39 -8.507 -10.422 8.669 1.00 0.00 N ATOM 620 NH2 ARG A 39 -10.679 -9.635 8.505 1.00 0.00 N ATOM 0 H ARG A 39 -7.706 -8.032 5.203 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.853 -8.106 3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.060 -10.345 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.255 -10.132 4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.133 -9.315 4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.827 -11.029 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.878 -11.253 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.374 -9.576 6.159 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.216 -9.583 6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.629 -10.692 8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.606 -10.484 9.682 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.458 -9.305 7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.778 -9.698 9.518 1.00 0.00 H new ATOM 634 N PRO A 40 -7.158 -8.065 0.842 1.00 0.00 N ATOM 635 CA PRO A 40 -5.802 -8.521 0.577 1.00 0.00 C ATOM 636 C PRO A 40 -4.793 -7.420 0.910 1.00 0.00 C ATOM 637 O PRO A 40 -5.115 -6.233 0.880 1.00 0.00 O ATOM 638 CB PRO A 40 -5.777 -8.879 -0.912 1.00 0.00 C ATOM 639 CG PRO A 40 -6.816 -7.929 -1.504 1.00 0.00 C ATOM 640 CD PRO A 40 -7.875 -7.861 -0.402 1.00 0.00 C ATOM 0 HA PRO A 40 -5.527 -9.379 1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.791 -8.723 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.040 -9.923 -1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.392 -6.948 -1.719 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.228 -8.310 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.385 -6.897 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.638 -8.626 -0.544 1.00 0.00 H new ATOM 648 N CYS A 41 -3.578 -7.834 1.276 1.00 0.00 N ATOM 649 CA CYS A 41 -2.456 -6.968 1.595 1.00 0.00 C ATOM 650 C CYS A 41 -1.241 -7.623 0.962 1.00 0.00 C ATOM 651 O CYS A 41 -0.646 -8.499 1.582 1.00 0.00 O ATOM 652 CB CYS A 41 -2.274 -6.887 3.117 1.00 0.00 C ATOM 653 SG CYS A 41 -3.547 -5.866 3.901 1.00 0.00 S ATOM 0 H CYS A 41 -3.346 -8.824 1.360 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.608 -5.954 1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.304 -7.891 3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.290 -6.476 3.343 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.704 -6.135 3.374 1.00 0.00 H new ATOM 659 N MET A 42 -0.922 -7.280 -0.288 1.00 0.00 N ATOM 660 CA MET A 42 0.074 -7.984 -1.083 1.00 0.00 C ATOM 661 C MET A 42 1.303 -7.103 -1.307 1.00 0.00 C ATOM 662 O MET A 42 1.160 -5.907 -1.559 1.00 0.00 O ATOM 663 CB MET A 42 -0.566 -8.456 -2.399 1.00 0.00 C ATOM 664 CG MET A 42 -0.019 -9.831 -2.791 1.00 0.00 C ATOM 665 SD MET A 42 -0.642 -10.479 -4.362 1.00 0.00 S ATOM 666 CE MET A 42 0.108 -12.120 -4.322 1.00 0.00 C ATOM 0 H MET A 42 -1.355 -6.497 -0.777 1.00 0.00 H new ATOM 0 HA MET A 42 0.422 -8.867 -0.548 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.649 -8.506 -2.287 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.360 -7.736 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.068 -9.772 -2.845 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.261 -10.541 -2.000 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.170 -12.669 -5.222 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.193 -12.023 -4.276 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.245 -12.660 -3.444 1.00 0.00 H new ATOM 676 N LYS A 43 2.498 -7.691 -1.206 1.00 0.00 N ATOM 677 CA LYS A 43 3.774 -7.009 -1.379 1.00 0.00 C ATOM 678 C LYS A 43 4.479 -7.603 -2.593 1.00 0.00 C ATOM 679 O LYS A 43 4.290 -8.789 -2.859 1.00 0.00 O ATOM 680 CB LYS A 43 4.610 -7.225 -0.107 1.00 0.00 C ATOM 681 CG LYS A 43 6.084 -6.803 -0.239 1.00 0.00 C ATOM 682 CD LYS A 43 6.853 -7.051 1.065 1.00 0.00 C ATOM 683 CE LYS A 43 6.647 -5.904 2.055 1.00 0.00 C ATOM 684 NZ LYS A 43 7.234 -6.213 3.371 1.00 0.00 N ATOM 0 H LYS A 43 2.602 -8.684 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 43 3.634 -5.940 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.156 -6.666 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.569 -8.279 0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.552 -7.359 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.140 -5.747 -0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.520 -7.987 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.916 -7.162 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.099 -4.995 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.581 -5.707 2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.076 -5.414 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.785 -7.067 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.256 -6.376 3.266 1.00 0.00 H new ATOM 698 N LYS A 44 5.292 -6.801 -3.296 1.00 0.00 N ATOM 699 CA LYS A 44 6.237 -7.287 -4.303 1.00 0.00 C ATOM 700 C LYS A 44 7.473 -6.384 -4.385 1.00 0.00 C ATOM 701 O LYS A 44 7.394 -5.195 -4.080 1.00 0.00 O ATOM 702 CB LYS A 44 5.521 -7.458 -5.644 1.00 0.00 C ATOM 703 CG LYS A 44 6.342 -8.144 -6.743 1.00 0.00 C ATOM 704 CD LYS A 44 6.851 -7.125 -7.769 1.00 0.00 C ATOM 705 CE LYS A 44 7.769 -7.780 -8.807 1.00 0.00 C ATOM 706 NZ LYS A 44 7.061 -8.794 -9.608 1.00 0.00 N ATOM 0 H LYS A 44 5.310 -5.788 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 44 6.610 -8.268 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.611 -8.035 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.215 -6.475 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.187 -8.668 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.730 -8.894 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.003 -6.661 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.391 -6.329 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.174 -7.014 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.616 -8.244 -8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.687 -9.139 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.785 -9.589 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.210 -8.371 -10.031 1.00 0.00 H new ATOM 720 N THR A 45 8.618 -6.957 -4.769 1.00 0.00 N ATOM 721 CA THR A 45 9.923 -6.310 -4.845 1.00 0.00 C ATOM 722 C THR A 45 10.118 -5.587 -6.186 1.00 0.00 C ATOM 723 O THR A 45 9.954 -6.195 -7.241 1.00 0.00 O ATOM 724 CB THR A 45 10.987 -7.401 -4.658 1.00 0.00 C ATOM 725 OG1 THR A 45 10.624 -8.235 -3.571 1.00 0.00 O ATOM 726 CG2 THR A 45 12.378 -6.809 -4.414 1.00 0.00 C ATOM 0 H THR A 45 8.657 -7.937 -5.049 1.00 0.00 H new ATOM 0 HA THR A 45 10.006 -5.550 -4.068 1.00 0.00 H new ATOM 0 HB THR A 45 11.034 -7.983 -5.578 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.302 -8.932 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.100 -7.616 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.667 -6.195 -5.267 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.359 -6.194 -3.514 1.00 0.00 H new ATOM 734 N ILE A 46 10.496 -4.307 -6.148 1.00 0.00 N ATOM 735 CA ILE A 46 10.783 -3.472 -7.313 1.00 0.00 C ATOM 736 C ILE A 46 12.301 -3.404 -7.529 1.00 0.00 C ATOM 737 O ILE A 46 13.061 -3.229 -6.574 1.00 0.00 O ATOM 738 CB ILE A 46 10.110 -2.095 -7.144 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.765 -2.019 -7.888 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.973 -0.910 -7.599 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.754 -3.065 -7.412 1.00 0.00 C ATOM 0 H ILE A 46 10.615 -3.805 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 46 10.361 -3.905 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 46 9.959 -2.008 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.339 -1.024 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.940 -2.151 -8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.425 0.019 -7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.895 -0.887 -7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.213 -1.020 -8.657 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.827 -2.958 -7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.162 -4.063 -7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.552 -2.919 -6.351 1.00 0.00 H new ATOM 753 N TYR A 47 12.731 -3.534 -8.789 1.00 0.00 N ATOM 754 CA TYR A 47 14.122 -3.514 -9.228 1.00 0.00 C ATOM 755 C TYR A 47 14.356 -2.332 -10.169 1.00 0.00 C ATOM 756 O TYR A 47 13.396 -1.767 -10.692 1.00 0.00 O ATOM 757 CB TYR A 47 14.447 -4.815 -9.978 1.00 0.00 C ATOM 758 CG TYR A 47 14.585 -6.054 -9.115 1.00 0.00 C ATOM 759 CD1 TYR A 47 13.447 -6.673 -8.567 1.00 0.00 C ATOM 760 CD2 TYR A 47 15.849 -6.652 -8.952 1.00 0.00 C ATOM 761 CE1 TYR A 47 13.580 -7.861 -7.829 1.00 0.00 C ATOM 762 CE2 TYR A 47 15.981 -7.844 -8.220 1.00 0.00 C ATOM 763 CZ TYR A 47 14.844 -8.445 -7.654 1.00 0.00 C ATOM 764 OH TYR A 47 14.963 -9.590 -6.924 1.00 0.00 O ATOM 0 H TYR A 47 12.082 -3.662 -9.565 1.00 0.00 H new ATOM 0 HA TYR A 47 14.764 -3.419 -8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.664 -4.993 -10.715 1.00 0.00 H new ATOM 0 HB3 TYR A 47 15.377 -4.673 -10.529 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.471 -6.235 -8.714 1.00 0.00 H new ATOM 0 HD2 TYR A 47 16.722 -6.192 -9.392 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.707 -8.326 -7.395 1.00 0.00 H new ATOM 0 HE2 TYR A 47 16.953 -8.297 -8.093 1.00 0.00 H new ATOM 0 HH TYR A 47 15.903 -9.866 -6.899 1.00 0.00 H new ATOM 884 N ILE A 55 17.709 -4.689 -6.778 1.00 0.00 N ATOM 885 CA ILE A 55 16.546 -4.273 -6.008 1.00 0.00 C ATOM 886 C ILE A 55 16.647 -2.765 -5.771 1.00 0.00 C ATOM 887 O ILE A 55 17.707 -2.267 -5.396 1.00 0.00 O ATOM 888 CB ILE A 55 16.461 -5.057 -4.683 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.254 -6.553 -4.983 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.314 -4.519 -3.809 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.311 -7.442 -3.736 1.00 0.00 C ATOM 0 HA ILE A 55 15.630 -4.490 -6.557 1.00 0.00 H new ATOM 0 HB ILE A 55 17.393 -4.929 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.288 -6.687 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.016 -6.882 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.270 -5.085 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.489 -3.467 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.370 -4.624 -4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.157 -8.482 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.286 -7.338 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.531 -7.139 -3.037 1.00 0.00 H new ATOM 903 N LYS A 56 15.543 -2.053 -5.995 1.00 0.00 N ATOM 904 CA LYS A 56 15.427 -0.619 -5.786 1.00 0.00 C ATOM 905 C LYS A 56 14.415 -0.317 -4.682 1.00 0.00 C ATOM 906 O LYS A 56 14.559 0.679 -3.975 1.00 0.00 O ATOM 907 CB LYS A 56 15.050 0.048 -7.113 1.00 0.00 C ATOM 908 CG LYS A 56 14.908 1.569 -6.969 1.00 0.00 C ATOM 909 CD LYS A 56 14.905 2.235 -8.346 1.00 0.00 C ATOM 910 CE LYS A 56 14.757 3.754 -8.214 1.00 0.00 C ATOM 911 NZ LYS A 56 14.908 4.417 -9.521 1.00 0.00 N ATOM 0 H LYS A 56 14.680 -2.476 -6.338 1.00 0.00 H new ATOM 0 HA LYS A 56 16.382 -0.212 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.810 -0.176 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.112 -0.371 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.985 1.806 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.729 1.962 -6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.831 1.999 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.087 1.836 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.780 3.992 -7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.505 4.137 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.803 5.445 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.849 4.207 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.178 4.067 -10.174 1.00 0.00 H new ATOM 925 N GLY A 57 13.378 -1.143 -4.527 1.00 0.00 N ATOM 926 CA GLY A 57 12.325 -0.845 -3.576 1.00 0.00 C ATOM 927 C GLY A 57 11.314 -1.977 -3.514 1.00 0.00 C ATOM 928 O GLY A 57 11.616 -3.104 -3.905 1.00 0.00 O ATOM 0 H GLY A 57 13.252 -2.012 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.757 -0.683 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.824 0.080 -3.860 1.00 0.00 H new ATOM 932 N TYR A 58 10.108 -1.674 -3.038 1.00 0.00 N ATOM 933 CA TYR A 58 8.992 -2.597 -2.961 1.00 0.00 C ATOM 934 C TYR A 58 7.710 -1.818 -3.230 1.00 0.00 C ATOM 935 O TYR A 58 7.687 -0.599 -3.038 1.00 0.00 O ATOM 936 CB TYR A 58 8.924 -3.235 -1.568 1.00 0.00 C ATOM 937 CG TYR A 58 10.262 -3.599 -0.950 1.00 0.00 C ATOM 938 CD1 TYR A 58 10.998 -2.618 -0.261 1.00 0.00 C ATOM 939 CD2 TYR A 58 10.834 -4.864 -1.182 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.320 -2.872 0.135 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.154 -5.123 -0.772 1.00 0.00 C ATOM 942 CZ TYR A 58 12.907 -4.119 -0.139 1.00 0.00 C ATOM 943 OH TYR A 58 14.200 -4.363 0.211 1.00 0.00 O ATOM 0 H TYR A 58 9.879 -0.745 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 58 9.118 -3.391 -3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.409 -2.547 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.315 -4.137 -1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.543 -1.665 -0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.260 -5.635 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 58 12.886 -2.110 0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.590 -6.096 -0.944 1.00 0.00 H new ATOM 0 HH TYR A 58 14.443 -5.275 -0.052 1.00 0.00 H new ATOM 953 N GLU A 59 6.656 -2.528 -3.633 1.00 0.00 N ATOM 954 CA GLU A 59 5.294 -2.029 -3.722 1.00 0.00 C ATOM 955 C GLU A 59 4.435 -2.771 -2.701 1.00 0.00 C ATOM 956 O GLU A 59 4.752 -3.912 -2.351 1.00 0.00 O ATOM 957 CB GLU A 59 4.735 -2.173 -5.144 1.00 0.00 C ATOM 958 CG GLU A 59 4.494 -3.632 -5.560 1.00 0.00 C ATOM 959 CD GLU A 59 3.898 -3.739 -6.961 1.00 0.00 C ATOM 960 OE1 GLU A 59 2.801 -3.171 -7.154 1.00 0.00 O ATOM 961 OE2 GLU A 59 4.543 -4.392 -7.809 1.00 0.00 O ATOM 0 H GLU A 59 6.737 -3.505 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 59 5.282 -0.963 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.797 -1.623 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.428 -1.712 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.436 -4.179 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.823 -4.107 -4.844 1.00 0.00 H new ATOM 968 N TYR A 60 3.355 -2.128 -2.246 1.00 0.00 N ATOM 969 CA TYR A 60 2.413 -2.656 -1.278 1.00 0.00 C ATOM 970 C TYR A 60 1.027 -2.305 -1.805 1.00 0.00 C ATOM 971 O TYR A 60 0.729 -1.121 -1.940 1.00 0.00 O ATOM 972 CB TYR A 60 2.620 -1.998 0.097 1.00 0.00 C ATOM 973 CG TYR A 60 4.053 -1.923 0.583 1.00 0.00 C ATOM 974 CD1 TYR A 60 4.922 -0.971 0.021 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.512 -2.758 1.618 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.273 -0.956 0.384 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.839 -2.647 2.071 1.00 0.00 C ATOM 978 CZ TYR A 60 6.731 -1.776 1.425 1.00 0.00 C ATOM 979 OH TYR A 60 8.042 -1.725 1.794 1.00 0.00 O ATOM 0 H TYR A 60 3.111 -1.189 -2.560 1.00 0.00 H new ATOM 0 HA TYR A 60 2.545 -3.731 -1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.216 -0.986 0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.035 -2.548 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.546 -0.251 -0.691 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.847 -3.483 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.964 -0.312 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.172 -3.232 2.916 1.00 0.00 H new ATOM 0 HH TYR A 60 8.199 -2.353 2.530 1.00 0.00 H new ATOM 989 N GLN A 61 0.204 -3.304 -2.118 1.00 0.00 N ATOM 990 CA GLN A 61 -1.177 -3.131 -2.539 1.00 0.00 C ATOM 991 C GLN A 61 -2.069 -3.652 -1.421 1.00 0.00 C ATOM 992 O GLN A 61 -2.032 -4.848 -1.136 1.00 0.00 O ATOM 993 CB GLN A 61 -1.408 -3.918 -3.831 1.00 0.00 C ATOM 994 CG GLN A 61 -0.896 -3.120 -5.032 1.00 0.00 C ATOM 995 CD GLN A 61 -1.042 -3.864 -6.357 1.00 0.00 C ATOM 996 OE1 GLN A 61 -1.523 -4.994 -6.415 1.00 0.00 O ATOM 997 NE2 GLN A 61 -0.651 -3.209 -7.446 1.00 0.00 N ATOM 0 H GLN A 61 0.492 -4.282 -2.083 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.406 -2.083 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.895 -4.878 -3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.470 -4.130 -3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.439 -2.177 -5.091 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.154 -2.874 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.256 -2.272 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.746 -3.643 -8.364 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.838 -2.776 -0.768 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.569 -3.154 0.433 1.00 0.00 C ATOM 1008 C LEU A 62 -4.905 -2.419 0.537 1.00 0.00 C ATOM 1009 O LEU A 62 -5.039 -1.291 0.065 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.661 -3.036 1.674 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.759 -1.790 1.778 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.555 -0.529 2.109 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.712 -2.005 2.875 1.00 0.00 C ATOM 0 H LEU A 62 -2.967 -1.805 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.848 -4.206 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.296 -3.067 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.022 -3.918 1.709 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.285 -1.652 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.878 0.323 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.293 -0.349 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.063 -0.660 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.075 -1.124 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.213 -2.170 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.102 -2.874 2.630 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.921 -3.088 1.094 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.268 -2.562 1.191 1.00 0.00 C ATOM 1027 C TYR A 63 -7.411 -1.778 2.500 1.00 0.00 C ATOM 1028 O TYR A 63 -7.577 -2.353 3.577 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.277 -3.706 1.031 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.616 -4.025 -0.418 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -7.627 -4.510 -1.295 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.926 -3.836 -0.899 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -7.964 -4.860 -2.616 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -10.256 -4.171 -2.220 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.273 -4.670 -3.084 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.587 -4.961 -4.378 1.00 0.00 O ATOM 0 H TYR A 63 -5.819 -4.021 1.492 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.478 -1.858 0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.876 -4.601 1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.194 -3.447 1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.608 -4.614 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.683 -3.430 -0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.213 -5.276 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.269 -4.044 -2.572 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.536 -4.772 -4.535 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.312 -0.451 2.390 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.411 0.505 3.480 1.00 0.00 C ATOM 1048 C VAL A 64 -8.885 0.763 3.783 1.00 0.00 C ATOM 1049 O VAL A 64 -9.666 1.021 2.867 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.706 1.815 3.085 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.792 2.851 4.212 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -5.229 1.562 2.765 1.00 0.00 C ATOM 0 H VAL A 64 -7.153 0.002 1.490 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.927 0.106 4.371 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.214 2.200 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.285 3.766 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.838 3.070 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.314 2.455 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.751 2.501 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.733 1.146 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.152 0.858 1.937 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.246 0.714 5.068 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.573 1.005 5.583 1.00 0.00 C ATOM 1064 C TYR A 65 -10.530 2.400 6.213 1.00 0.00 C ATOM 1065 O TYR A 65 -9.827 2.614 7.205 1.00 0.00 O ATOM 1066 CB TYR A 65 -10.977 -0.084 6.600 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.377 -0.657 6.449 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.452 0.145 6.015 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.589 -2.027 6.693 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.693 -0.444 5.716 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -13.841 -2.608 6.427 1.00 0.00 C ATOM 1072 CZ TYR A 65 -14.883 -1.822 5.910 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.074 -2.392 5.576 1.00 0.00 O ATOM 0 H TYR A 65 -8.588 0.459 5.804 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.324 0.999 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.262 -0.903 6.527 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.883 0.332 7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.322 1.212 5.912 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.787 -2.634 7.086 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.501 0.164 5.337 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.001 -3.658 6.620 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.043 -3.352 5.771 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.265 3.355 5.634 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.302 4.741 6.081 1.00 0.00 C ATOM 1085 C ALA A 66 -12.737 5.246 5.987 1.00 0.00 C ATOM 1086 O ALA A 66 -13.393 5.038 4.973 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.354 5.584 5.227 1.00 0.00 C ATOM 0 H ALA A 66 -11.861 3.177 4.826 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.971 4.818 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.384 6.620 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.338 5.200 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.663 5.533 4.183 1.00 0.00 H new ATOM 1093 N SER A 67 -13.246 5.869 7.052 1.00 0.00 N ATOM 1094 CA SER A 67 -14.610 6.388 7.133 1.00 0.00 C ATOM 1095 C SER A 67 -15.649 5.332 6.726 1.00 0.00 C ATOM 1096 O SER A 67 -16.629 5.655 6.056 1.00 0.00 O ATOM 1097 CB SER A 67 -14.732 7.661 6.283 1.00 0.00 C ATOM 1098 OG SER A 67 -16.003 8.250 6.459 1.00 0.00 O ATOM 0 H SER A 67 -12.706 6.030 7.902 1.00 0.00 H new ATOM 0 HA SER A 67 -14.821 6.642 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.953 8.370 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.578 7.420 5.231 1.00 0.00 H new ATOM 0 HG SER A 67 -16.700 7.591 6.257 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.427 4.076 7.128 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.256 2.933 6.754 1.00 0.00 C ATOM 1106 C ASP A 68 -16.435 2.808 5.231 1.00 0.00 C ATOM 1107 O ASP A 68 -17.467 2.345 4.753 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.592 2.969 7.514 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.377 1.664 7.383 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.736 0.597 7.500 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.610 1.756 7.197 1.00 0.00 O ATOM 0 H ASP A 68 -14.648 3.824 7.736 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.733 2.025 7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.401 3.170 8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.198 3.793 7.137 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.405 3.179 4.466 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.286 2.924 3.041 1.00 0.00 C ATOM 1118 C LYS A 69 -13.986 2.146 2.866 1.00 0.00 C ATOM 1119 O LYS A 69 -12.995 2.465 3.526 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.208 4.241 2.260 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.450 5.132 2.398 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.631 4.583 1.589 1.00 0.00 C ATOM 1123 CE LYS A 69 -18.795 5.582 1.617 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.897 5.143 0.743 1.00 0.00 N ATOM 0 H LYS A 69 -14.604 3.684 4.844 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.149 2.373 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.335 4.799 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.052 4.015 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.731 5.206 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.214 6.141 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.323 4.399 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.952 3.626 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.159 5.691 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.443 6.563 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.669 5.838 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.553 5.063 -0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.247 4.218 1.064 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.989 1.125 2.006 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.817 0.312 1.744 1.00 0.00 C ATOM 1140 C LEU A 70 -12.254 0.698 0.374 1.00 0.00 C ATOM 1141 O LEU A 70 -13.002 0.750 -0.603 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.218 -1.165 1.847 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.005 -2.101 1.915 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.334 -2.063 3.290 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.473 -3.536 1.668 1.00 0.00 C ATOM 0 H LEU A 70 -14.812 0.844 1.473 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.025 0.481 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.834 -1.310 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.831 -1.432 0.986 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.289 -1.771 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.479 -2.740 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.995 -1.049 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.049 -2.374 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.618 -4.211 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.199 -3.818 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.936 -3.603 0.683 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.960 1.025 0.313 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.259 1.461 -0.892 1.00 0.00 C ATOM 1159 C PHE A 71 -8.949 0.685 -1.002 1.00 0.00 C ATOM 1160 O PHE A 71 -8.299 0.442 0.010 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.947 2.963 -0.803 1.00 0.00 C ATOM 1162 CG PHE A 71 -11.034 3.894 -1.309 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -12.175 4.155 -0.527 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.819 4.633 -2.488 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -13.101 5.131 -0.938 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.743 5.605 -2.898 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.886 5.857 -2.121 1.00 0.00 C ATOM 0 H PHE A 71 -10.353 0.991 1.132 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.885 1.277 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.738 3.211 0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -9.035 3.160 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -12.339 3.606 0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.935 4.450 -3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.981 5.323 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.576 6.159 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.598 6.607 -2.433 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.531 0.339 -2.220 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.214 -0.225 -2.464 1.00 0.00 C ATOM 1179 C ARG A 72 -6.217 0.926 -2.548 1.00 0.00 C ATOM 1180 O ARG A 72 -6.289 1.731 -3.476 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.212 -1.062 -3.753 1.00 0.00 C ATOM 1182 CG ARG A 72 -5.778 -1.281 -4.267 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.676 -2.427 -5.274 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.557 -3.715 -4.576 1.00 0.00 N ATOM 1185 CZ ARG A 72 -4.787 -4.736 -4.979 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -4.239 -4.731 -6.199 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -4.530 -5.742 -4.136 1.00 0.00 N ATOM 0 H ARG A 72 -9.099 0.444 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.933 -0.895 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.686 -2.026 -3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.803 -0.559 -4.518 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.420 -0.362 -4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.122 -1.487 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.557 -2.434 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.812 -2.275 -5.920 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.100 -3.841 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.406 -3.947 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.654 -5.511 -6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.919 -5.729 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.945 -6.522 -4.436 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.265 0.979 -1.616 1.00 0.00 N ATOM 1202 CA ALA A 73 -4.124 1.870 -1.710 1.00 0.00 C ATOM 1203 C ALA A 73 -2.950 1.058 -2.246 1.00 0.00 C ATOM 1204 O ALA A 73 -2.703 -0.052 -1.766 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.812 2.482 -0.343 1.00 0.00 C ATOM 0 H ALA A 73 -5.270 0.401 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.332 2.700 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.954 3.148 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.675 3.047 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.584 1.688 0.368 1.00 0.00 H new ATOM 1211 N ASP A 74 -2.246 1.603 -3.241 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.980 1.073 -3.724 1.00 0.00 C ATOM 1213 C ASP A 74 0.093 2.072 -3.310 1.00 0.00 C ATOM 1214 O ASP A 74 -0.039 3.264 -3.593 1.00 0.00 O ATOM 1215 CB ASP A 74 -1.035 0.864 -5.239 1.00 0.00 C ATOM 1216 CG ASP A 74 0.140 0.063 -5.802 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.185 -0.007 -5.122 1.00 0.00 O ATOM 1218 OD2 ASP A 74 -0.042 -0.493 -6.910 1.00 0.00 O ATOM 0 H ASP A 74 -2.550 2.440 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.757 0.095 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.964 0.352 -5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.065 1.837 -5.728 1.00 0.00 H new ATOM 1223 N ILE A 75 1.113 1.594 -2.604 1.00 0.00 N ATOM 1224 CA ILE A 75 2.199 2.389 -2.047 1.00 0.00 C ATOM 1225 C ILE A 75 3.505 1.810 -2.582 1.00 0.00 C ATOM 1226 O ILE A 75 3.560 0.615 -2.878 1.00 0.00 O ATOM 1227 CB ILE A 75 2.147 2.338 -0.502 1.00 0.00 C ATOM 1228 CG1 ILE A 75 0.836 2.939 0.040 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.330 3.065 0.156 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -0.207 1.858 0.323 1.00 0.00 C ATOM 0 H ILE A 75 1.208 0.600 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 75 2.115 3.436 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 75 2.203 1.281 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.041 3.495 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.436 3.651 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.241 2.997 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.264 2.602 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.325 4.113 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.117 2.321 0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.432 1.319 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.183 1.161 1.065 1.00 0.00 H new ATOM 1242 N SER A 76 4.552 2.634 -2.686 1.00 0.00 N ATOM 1243 CA SER A 76 5.912 2.196 -2.962 1.00 0.00 C ATOM 1244 C SER A 76 6.813 2.595 -1.796 1.00 0.00 C ATOM 1245 O SER A 76 6.543 3.619 -1.173 1.00 0.00 O ATOM 1246 CB SER A 76 6.431 2.861 -4.238 1.00 0.00 C ATOM 1247 OG SER A 76 5.476 2.779 -5.274 1.00 0.00 O ATOM 0 H SER A 76 4.470 3.645 -2.577 1.00 0.00 H new ATOM 0 HA SER A 76 5.918 1.114 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.667 3.906 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.357 2.380 -4.553 1.00 0.00 H new ATOM 0 HG SER A 76 5.929 2.590 -6.122 1.00 0.00 H new ATOM 1253 N GLU A 77 7.869 1.819 -1.532 1.00 0.00 N ATOM 1254 CA GLU A 77 8.977 2.146 -0.635 1.00 0.00 C ATOM 1255 C GLU A 77 10.245 1.995 -1.465 1.00 0.00 C ATOM 1256 O GLU A 77 10.456 0.926 -2.038 1.00 0.00 O ATOM 1257 CB GLU A 77 8.972 1.223 0.592 1.00 0.00 C ATOM 1258 CG GLU A 77 10.064 1.555 1.623 1.00 0.00 C ATOM 1259 CD GLU A 77 11.243 0.590 1.543 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.055 0.757 0.610 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.305 -0.308 2.412 1.00 0.00 O ATOM 0 H GLU A 77 7.978 0.900 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 77 8.898 3.159 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.997 1.283 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.100 0.193 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.418 2.573 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.637 1.522 2.625 1.00 0.00 H new ATOM 1268 N ASP A 78 11.044 3.060 -1.569 1.00 0.00 N ATOM 1269 CA ASP A 78 12.313 3.034 -2.287 1.00 0.00 C ATOM 1270 C ASP A 78 13.431 2.818 -1.271 1.00 0.00 C ATOM 1271 O ASP A 78 13.597 3.623 -0.355 1.00 0.00 O ATOM 1272 CB ASP A 78 12.507 4.331 -3.071 1.00 0.00 C ATOM 1273 CG ASP A 78 13.840 4.329 -3.807 1.00 0.00 C ATOM 1274 OD1 ASP A 78 14.854 4.627 -3.140 1.00 0.00 O ATOM 1275 OD2 ASP A 78 13.814 4.041 -5.021 1.00 0.00 O ATOM 0 H ASP A 78 10.825 3.966 -1.155 1.00 0.00 H new ATOM 0 HA ASP A 78 12.325 2.220 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.693 4.453 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.464 5.181 -2.391 1.00 0.00 H new ATOM 1280 N TYR A 79 14.190 1.736 -1.440 1.00 0.00 N ATOM 1281 CA TYR A 79 15.159 1.257 -0.467 1.00 0.00 C ATOM 1282 C TYR A 79 16.240 2.306 -0.218 1.00 0.00 C ATOM 1283 O TYR A 79 16.482 2.691 0.923 1.00 0.00 O ATOM 1284 CB TYR A 79 15.740 -0.073 -0.966 1.00 0.00 C ATOM 1285 CG TYR A 79 16.680 -0.752 0.008 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.172 -1.323 1.189 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.053 -0.848 -0.283 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.030 -2.009 2.065 1.00 0.00 C ATOM 1289 CE2 TYR A 79 18.912 -1.524 0.601 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.401 -2.109 1.771 1.00 0.00 C ATOM 1291 OH TYR A 79 19.237 -2.773 2.616 1.00 0.00 O ATOM 0 H TYR A 79 14.144 1.157 -2.279 1.00 0.00 H new ATOM 0 HA TYR A 79 14.673 1.084 0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.918 -0.752 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.272 0.105 -1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.121 -1.234 1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.447 -0.403 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 79 16.636 -2.459 2.964 1.00 0.00 H new ATOM 0 HE2 TYR A 79 19.967 -1.594 0.380 1.00 0.00 H new ATOM 0 HH TYR A 79 20.150 -2.747 2.260 1.00 0.00 H new ATOM 1301 N LYS A 80 16.872 2.789 -1.292 1.00 0.00 N ATOM 1302 CA LYS A 80 17.952 3.765 -1.209 1.00 0.00 C ATOM 1303 C LYS A 80 17.463 5.032 -0.505 1.00 0.00 C ATOM 1304 O LYS A 80 18.127 5.556 0.386 1.00 0.00 O ATOM 1305 CB LYS A 80 18.475 4.080 -2.619 1.00 0.00 C ATOM 1306 CG LYS A 80 19.668 5.047 -2.576 1.00 0.00 C ATOM 1307 CD LYS A 80 20.091 5.451 -3.993 1.00 0.00 C ATOM 1308 CE LYS A 80 21.229 6.476 -3.925 1.00 0.00 C ATOM 1309 NZ LYS A 80 21.612 6.944 -5.268 1.00 0.00 N ATOM 0 H LYS A 80 16.644 2.510 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 80 18.772 3.350 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 80 18.773 3.155 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.674 4.516 -3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.402 5.936 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 80 20.506 4.576 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 80 20.415 4.572 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 80 19.241 5.873 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.919 7.326 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 80 22.093 6.030 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 22.384 7.636 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.930 6.136 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.793 7.391 -5.727 1.00 0.00 H new ATOM 1323 N THR A 81 16.304 5.534 -0.929 1.00 0.00 N ATOM 1324 CA THR A 81 15.731 6.751 -0.382 1.00 0.00 C ATOM 1325 C THR A 81 15.205 6.510 1.033 1.00 0.00 C ATOM 1326 O THR A 81 15.014 7.474 1.771 1.00 0.00 O ATOM 1327 CB THR A 81 14.634 7.275 -1.324 1.00 0.00 C ATOM 1328 OG1 THR A 81 15.122 7.255 -2.667 1.00 0.00 O ATOM 1329 CG2 THR A 81 14.200 8.711 -0.978 1.00 0.00 C ATOM 0 H THR A 81 15.740 5.104 -1.662 1.00 0.00 H new ATOM 0 HA THR A 81 16.504 7.515 -0.308 1.00 0.00 H new ATOM 0 HB THR A 81 13.766 6.626 -1.209 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.081 6.340 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.424 9.034 -1.672 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.811 8.738 0.040 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.058 9.379 -1.056 1.00 0.00 H new ATOM 1337 N ARG A 82 14.947 5.245 1.403 1.00 0.00 N ATOM 1338 CA ARG A 82 14.284 4.831 2.634 1.00 0.00 C ATOM 1339 C ARG A 82 13.075 5.715 2.931 1.00 0.00 C ATOM 1340 O ARG A 82 12.851 6.148 4.059 1.00 0.00 O ATOM 1341 CB ARG A 82 15.286 4.706 3.796 1.00 0.00 C ATOM 1342 CG ARG A 82 16.031 6.011 4.114 1.00 0.00 C ATOM 1343 CD ARG A 82 16.811 5.944 5.427 1.00 0.00 C ATOM 1344 NE ARG A 82 17.487 7.226 5.670 1.00 0.00 N ATOM 1345 CZ ARG A 82 18.083 7.587 6.815 1.00 0.00 C ATOM 1346 NH1 ARG A 82 18.136 6.738 7.847 1.00 0.00 N ATOM 1347 NH2 ARG A 82 18.624 8.805 6.916 1.00 0.00 N ATOM 0 H ARG A 82 15.211 4.451 0.819 1.00 0.00 H new ATOM 0 HA ARG A 82 13.881 3.827 2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.754 4.375 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.014 3.932 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.719 6.239 3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.314 6.830 4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.135 5.717 6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.544 5.138 5.385 1.00 0.00 H new ATOM 0 HE ARG A 82 17.504 7.898 4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.721 5.810 7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.591 7.019 8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.581 9.449 6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.080 9.090 7.783 1.00 0.00 H new ATOM 1361 N GLY A 83 12.279 5.951 1.887 1.00 0.00 N ATOM 1362 CA GLY A 83 11.083 6.765 1.928 1.00 0.00 C ATOM 1363 C GLY A 83 10.040 6.085 1.061 1.00 0.00 C ATOM 1364 O GLY A 83 10.393 5.307 0.167 1.00 0.00 O ATOM 0 H GLY A 83 12.464 5.563 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.723 6.867 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.290 7.770 1.561 1.00 0.00 H new ATOM 1368 N ARG A 84 8.764 6.356 1.346 1.00 0.00 N ATOM 1369 CA ARG A 84 7.649 5.772 0.632 1.00 0.00 C ATOM 1370 C ARG A 84 6.873 6.837 -0.122 1.00 0.00 C ATOM 1371 O ARG A 84 7.070 8.029 0.099 1.00 0.00 O ATOM 1372 CB ARG A 84 6.702 5.083 1.614 1.00 0.00 C ATOM 1373 CG ARG A 84 7.391 4.143 2.605 1.00 0.00 C ATOM 1374 CD ARG A 84 6.335 3.179 3.148 1.00 0.00 C ATOM 1375 NE ARG A 84 6.824 2.411 4.301 1.00 0.00 N ATOM 1376 CZ ARG A 84 6.552 2.688 5.586 1.00 0.00 C ATOM 1377 NH1 ARG A 84 5.974 3.846 5.928 1.00 0.00 N ATOM 1378 NH2 ARG A 84 6.855 1.793 6.531 1.00 0.00 N ATOM 0 H ARG A 84 8.483 6.996 2.089 1.00 0.00 H new ATOM 0 HA ARG A 84 8.048 5.047 -0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.160 5.846 2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.962 4.516 1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.194 3.593 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.844 4.711 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.448 3.741 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.033 2.492 2.358 1.00 0.00 H new ATOM 0 HE ARG A 84 7.417 1.603 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.735 4.529 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.772 4.045 6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.290 0.907 6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.652 1.996 7.510 1.00 0.00 H new ATOM 1392 N LYS A 85 5.937 6.385 -0.956 1.00 0.00 N ATOM 1393 CA LYS A 85 4.972 7.253 -1.605 1.00 0.00 C ATOM 1394 C LYS A 85 3.709 6.490 -1.985 1.00 0.00 C ATOM 1395 O LYS A 85 3.770 5.304 -2.300 1.00 0.00 O ATOM 1396 CB LYS A 85 5.609 8.008 -2.780 1.00 0.00 C ATOM 1397 CG LYS A 85 6.063 7.167 -3.985 1.00 0.00 C ATOM 1398 CD LYS A 85 4.908 6.795 -4.931 1.00 0.00 C ATOM 1399 CE LYS A 85 5.395 6.530 -6.359 1.00 0.00 C ATOM 1400 NZ LYS A 85 6.269 5.345 -6.435 1.00 0.00 N ATOM 0 H LYS A 85 5.832 5.400 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 85 4.657 8.015 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.893 8.749 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.473 8.554 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.818 7.721 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.538 6.254 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.400 5.908 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.175 7.602 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.536 6.389 -7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.935 7.403 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.548 5.182 -7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.119 5.503 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.757 4.513 -6.078 1.00 0.00 H new ATOM 1414 N LEU A 86 2.566 7.177 -1.936 1.00 0.00 N ATOM 1415 CA LEU A 86 1.297 6.678 -2.439 1.00 0.00 C ATOM 1416 C LEU A 86 1.365 6.671 -3.969 1.00 0.00 C ATOM 1417 O LEU A 86 1.540 7.729 -4.569 1.00 0.00 O ATOM 1418 CB LEU A 86 0.189 7.612 -1.922 1.00 0.00 C ATOM 1419 CG LEU A 86 -1.236 7.248 -2.369 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.686 5.906 -1.784 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -2.194 8.349 -1.895 1.00 0.00 C ATOM 0 H LEU A 86 2.502 8.113 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 86 1.085 5.664 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.220 7.618 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.408 8.627 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.246 7.162 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.698 5.683 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.010 5.119 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.671 5.960 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.210 8.105 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.154 8.423 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.899 9.302 -2.335 1.00 0.00 H new ATOM 1433 N LEU A 87 1.229 5.504 -4.606 1.00 0.00 N ATOM 1434 CA LEU A 87 1.080 5.430 -6.056 1.00 0.00 C ATOM 1435 C LEU A 87 -0.328 5.893 -6.427 1.00 0.00 C ATOM 1436 O LEU A 87 -0.494 6.721 -7.318 1.00 0.00 O ATOM 1437 CB LEU A 87 1.319 3.999 -6.576 1.00 0.00 C ATOM 1438 CG LEU A 87 2.769 3.731 -6.996 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.008 2.218 -7.065 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.053 4.332 -8.381 1.00 0.00 C ATOM 0 H LEU A 87 1.219 4.599 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 87 1.826 6.075 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.037 3.288 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.664 3.817 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 87 3.430 4.191 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.039 2.026 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.825 1.776 -6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.330 1.775 -7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.087 4.131 -8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.385 3.883 -9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.889 5.409 -8.351 1.00 0.00 H new ATOM 1452 N ARG A 88 -1.344 5.323 -5.771 1.00 0.00 N ATOM 1453 CA ARG A 88 -2.740 5.523 -6.137 1.00 0.00 C ATOM 1454 C ARG A 88 -3.635 4.963 -5.033 1.00 0.00 C ATOM 1455 O ARG A 88 -3.202 4.106 -4.261 1.00 0.00 O ATOM 1456 CB ARG A 88 -3.045 4.874 -7.502 1.00 0.00 C ATOM 1457 CG ARG A 88 -2.607 3.405 -7.542 1.00 0.00 C ATOM 1458 CD ARG A 88 -2.620 2.806 -8.949 1.00 0.00 C ATOM 1459 NE ARG A 88 -1.948 1.499 -8.917 1.00 0.00 N ATOM 1460 CZ ARG A 88 -1.276 0.948 -9.935 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -1.412 1.421 -11.178 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -0.453 -0.076 -9.688 1.00 0.00 N ATOM 0 H ARG A 88 -1.215 4.708 -4.968 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.941 6.589 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.114 4.941 -7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.535 5.428 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.602 3.322 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.265 2.820 -6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.645 2.694 -9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.114 3.473 -9.647 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.998 0.968 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.033 2.210 -11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.895 0.993 -11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.345 -0.425 -8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.067 -0.508 -10.452 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.869 5.471 -4.967 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.874 5.130 -3.972 1.00 0.00 C ATOM 1478 C PHE A 89 -7.187 4.884 -4.712 1.00 0.00 C ATOM 1479 O PHE A 89 -7.952 5.815 -4.954 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.993 6.283 -2.974 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.820 5.968 -1.744 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.208 5.374 -0.626 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -8.161 6.385 -1.666 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -6.936 5.182 0.561 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.882 6.215 -0.471 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.272 5.610 0.641 1.00 0.00 C ATOM 0 H PHE A 89 -5.204 6.162 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.607 4.234 -3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.992 6.577 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.432 7.142 -3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.175 5.064 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.637 6.836 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.469 4.706 1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.907 6.550 -0.408 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.829 5.474 1.556 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.417 3.641 -5.132 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.508 3.289 -6.024 1.00 0.00 C ATOM 1498 C ASN A 90 -9.661 2.746 -5.191 1.00 0.00 C ATOM 1499 O ASN A 90 -9.441 1.959 -4.272 1.00 0.00 O ATOM 1500 CB ASN A 90 -8.063 2.212 -7.017 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.682 2.463 -7.623 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -6.413 3.526 -8.170 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -5.786 1.483 -7.525 1.00 0.00 N ATOM 0 H ASN A 90 -6.842 2.845 -4.856 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.816 4.175 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.058 1.246 -6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.796 2.148 -7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.850 1.607 -7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.036 0.608 -7.065 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.889 3.135 -5.520 1.00 0.00 N ATOM 1511 CA GLY A 91 -12.073 2.633 -4.849 1.00 0.00 C ATOM 1512 C GLY A 91 -13.230 3.626 -4.939 1.00 0.00 C ATOM 1513 O GLY A 91 -13.151 4.573 -5.723 1.00 0.00 O ATOM 0 H GLY A 91 -11.086 3.808 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.371 1.684 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.843 2.435 -3.802 1.00 0.00 H new ATOM 1517 N PRO A 92 -14.298 3.425 -4.149 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.431 2.353 -3.171 1.00 0.00 C ATOM 1519 C PRO A 92 -14.448 0.984 -3.853 1.00 0.00 C ATOM 1520 O PRO A 92 -14.951 0.853 -4.967 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.745 2.626 -2.435 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.566 3.419 -3.456 1.00 0.00 C ATOM 1523 CD PRO A 92 -15.504 4.231 -4.198 1.00 0.00 C ATOM 0 HA PRO A 92 -13.587 2.332 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.245 1.701 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.582 3.196 -1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.115 2.761 -4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -17.300 4.063 -2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.806 4.424 -5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -15.348 5.200 -3.724 1.00 0.00 H new