USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 505 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 34 SER OG : rot -74:sc= 1.28 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.0292 K(o=1.3,f=-6.5!) USER MOD Single : A 5 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.61) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.591! C(o=-0.59!,f=-3.8!) USER MOD Single : A 11 GLN : amide:sc= -1.99! K(o=-2!,f=-0.0011) USER MOD Single : A 13 SER OG : rot 180:sc= 0.109 USER MOD Single : A 14 HIS : no HE2:sc= -1.82 K(o=-1.8,f=-2.6) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.04! C(o=-3!,f=-1.5!) USER MOD Single : A 24 TYR OH : rot -163:sc= 0.00523 USER MOD Single : A 26 SER OG : rot 107:sc= 0.132 USER MOD Single : A 29 SER OG : rot 85:sc= 0.765 USER MOD Single : A 31 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.4) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 40 GLN : amide:sc= -3.24! C(o=-3.2!,f=-1.3!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 166:sc= 0 (180deg=-0.309) USER MOD Single : A 52 THR OG1 : rot -13:sc= 1.1 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.627 K(o=0.63,f=-0.0029) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.0446 (180deg=-0.369) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 133:sc= 1.18 (180deg=-0.294) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 11.018 -0.356 -2.126 1.00 0.00 N ATOM 45 CA VAL A 4 9.744 -1.076 -2.127 1.00 0.00 C ATOM 46 C VAL A 4 9.689 -2.239 -3.089 1.00 0.00 C ATOM 47 O VAL A 4 8.960 -3.195 -2.872 1.00 0.00 O ATOM 48 CB VAL A 4 8.580 -0.120 -2.369 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.747 1.047 -1.465 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.495 0.336 -3.807 1.00 0.00 C ATOM 0 HA VAL A 4 9.655 -1.512 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 4 7.648 -0.644 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.926 1.747 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.746 0.708 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.693 1.544 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.650 1.014 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.415 0.852 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.359 -0.529 -4.456 1.00 0.00 H new ATOM 60 N HIS A 5 10.475 -2.179 -4.130 1.00 0.00 N ATOM 61 CA HIS A 5 10.528 -3.258 -5.096 1.00 0.00 C ATOM 62 C HIS A 5 11.228 -4.496 -4.492 1.00 0.00 C ATOM 63 O HIS A 5 11.174 -5.591 -5.044 1.00 0.00 O ATOM 64 CB HIS A 5 11.211 -2.801 -6.398 1.00 0.00 C ATOM 65 CG HIS A 5 12.499 -2.073 -6.196 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.577 -0.712 -6.166 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.757 -2.525 -5.979 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.819 -0.370 -5.931 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.598 -1.434 -5.815 1.00 0.00 N ATOM 0 H HIS A 5 11.092 -1.394 -4.337 1.00 0.00 H new ATOM 0 HA HIS A 5 9.507 -3.543 -5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.396 -3.675 -7.023 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.525 -2.156 -6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 5 14.056 -3.562 -5.940 1.00 0.00 H new ATOM 0 HE1 HIS A 5 14.164 0.650 -5.843 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.603 -1.449 -5.642 1.00 0.00 H new ATOM 77 N GLU A 6 11.874 -4.287 -3.348 1.00 0.00 N ATOM 78 CA GLU A 6 12.562 -5.337 -2.616 1.00 0.00 C ATOM 79 C GLU A 6 11.614 -5.964 -1.594 1.00 0.00 C ATOM 80 O GLU A 6 11.944 -6.965 -0.949 1.00 0.00 O ATOM 81 CB GLU A 6 13.755 -4.739 -1.884 1.00 0.00 C ATOM 82 CG GLU A 6 14.791 -4.107 -2.789 1.00 0.00 C ATOM 83 CD GLU A 6 15.530 -5.125 -3.598 1.00 0.00 C ATOM 84 OE1 GLU A 6 16.534 -5.671 -3.096 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.144 -5.390 -4.733 1.00 0.00 O ATOM 0 H GLU A 6 11.933 -3.372 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 6 12.898 -6.102 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.395 -3.986 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.234 -5.521 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.303 -3.398 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.500 -3.540 -2.186 1.00 0.00 H new ATOM 92 N TRP A 7 10.447 -5.363 -1.441 1.00 0.00 N ATOM 93 CA TRP A 7 9.462 -5.840 -0.500 1.00 0.00 C ATOM 94 C TRP A 7 8.678 -6.960 -1.119 1.00 0.00 C ATOM 95 O TRP A 7 8.458 -6.969 -2.331 1.00 0.00 O ATOM 96 CB TRP A 7 8.495 -4.729 -0.078 1.00 0.00 C ATOM 97 CG TRP A 7 9.140 -3.558 0.596 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.427 -3.457 1.034 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.509 -2.330 0.936 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.636 -2.237 1.591 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.480 -1.523 1.549 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.222 -1.829 0.768 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.205 -0.245 2.000 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.945 -0.561 1.216 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.938 0.226 1.826 1.00 0.00 C ATOM 0 H TRP A 7 10.161 -4.536 -1.965 1.00 0.00 H new ATOM 0 HA TRP A 7 9.992 -6.188 0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.963 -4.375 -0.961 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.749 -5.152 0.595 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.172 -4.235 0.950 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.520 -1.908 1.979 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.456 -2.426 0.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.966 0.358 2.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.949 -0.162 1.098 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.692 1.222 2.163 1.00 0.00 H new ATOM 116 N SER A 8 8.262 -7.889 -0.308 1.00 0.00 N ATOM 117 CA SER A 8 7.512 -8.999 -0.766 1.00 0.00 C ATOM 118 C SER A 8 6.114 -8.990 -0.174 1.00 0.00 C ATOM 119 O SER A 8 5.140 -8.761 -0.870 1.00 0.00 O ATOM 120 CB SER A 8 8.242 -10.269 -0.398 1.00 0.00 C ATOM 121 OG SER A 8 9.523 -10.298 -1.011 1.00 0.00 O ATOM 0 H SER A 8 8.440 -7.888 0.696 1.00 0.00 H new ATOM 0 HA SER A 8 7.408 -8.941 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.348 -10.334 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.661 -11.135 -0.714 1.00 0.00 H new ATOM 0 HG SER A 8 9.986 -11.125 -0.763 1.00 0.00 H new ATOM 127 N VAL A 9 6.027 -9.229 1.113 1.00 0.00 N ATOM 128 CA VAL A 9 4.748 -9.273 1.797 1.00 0.00 C ATOM 129 C VAL A 9 4.941 -8.632 3.142 1.00 0.00 C ATOM 130 O VAL A 9 4.404 -7.572 3.424 1.00 0.00 O ATOM 131 CB VAL A 9 4.242 -10.745 2.009 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.893 -10.754 2.684 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.146 -11.497 0.700 1.00 0.00 C ATOM 0 H VAL A 9 6.832 -9.398 1.716 1.00 0.00 H new ATOM 0 HA VAL A 9 4.004 -8.754 1.193 1.00 0.00 H new ATOM 0 HB VAL A 9 4.973 -11.244 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.562 -11.783 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.969 -10.265 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.172 -10.220 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.793 -12.511 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.447 -10.986 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.129 -11.536 0.230 1.00 0.00 H new ATOM 143 N GLN A 10 5.829 -9.230 3.914 1.00 0.00 N ATOM 144 CA GLN A 10 6.140 -8.806 5.279 1.00 0.00 C ATOM 145 C GLN A 10 6.900 -7.472 5.358 1.00 0.00 C ATOM 146 O GLN A 10 7.394 -7.086 6.409 1.00 0.00 O ATOM 147 CB GLN A 10 6.879 -9.920 6.035 1.00 0.00 C ATOM 148 CG GLN A 10 8.276 -10.340 5.524 1.00 0.00 C ATOM 149 CD GLN A 10 8.273 -11.044 4.162 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.297 -11.676 3.766 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.356 -10.977 3.466 1.00 0.00 N ATOM 0 H GLN A 10 6.368 -10.041 3.610 1.00 0.00 H new ATOM 0 HA GLN A 10 5.183 -8.621 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.984 -9.606 7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.242 -10.805 6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.906 -9.453 5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.733 -11.002 6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.154 -10.446 3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.415 -11.455 2.567 1.00 0.00 H new ATOM 160 N GLN A 11 6.999 -6.802 4.249 1.00 0.00 N ATOM 161 CA GLN A 11 7.597 -5.483 4.196 1.00 0.00 C ATOM 162 C GLN A 11 6.673 -4.414 3.619 1.00 0.00 C ATOM 163 O GLN A 11 6.934 -3.226 3.762 1.00 0.00 O ATOM 164 CB GLN A 11 8.920 -5.511 3.482 1.00 0.00 C ATOM 165 CG GLN A 11 10.066 -5.950 4.376 1.00 0.00 C ATOM 166 CD GLN A 11 11.417 -5.914 3.706 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.422 -5.635 4.357 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.485 -6.283 2.463 1.00 0.00 N ATOM 0 H GLN A 11 6.669 -7.148 3.348 1.00 0.00 H new ATOM 0 HA GLN A 11 7.772 -5.193 5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.852 -6.186 2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.134 -4.518 3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.092 -5.309 5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.872 -6.964 4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.632 -6.508 1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.391 -6.348 1.999 1.00 0.00 H new ATOM 177 N VAL A 12 5.569 -4.827 3.024 1.00 0.00 N ATOM 178 CA VAL A 12 4.625 -3.865 2.422 1.00 0.00 C ATOM 179 C VAL A 12 3.798 -3.216 3.555 1.00 0.00 C ATOM 180 O VAL A 12 3.251 -2.108 3.431 1.00 0.00 O ATOM 181 CB VAL A 12 3.685 -4.580 1.392 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.566 -5.365 2.048 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.161 -3.625 0.344 1.00 0.00 C ATOM 0 H VAL A 12 5.294 -5.805 2.938 1.00 0.00 H new ATOM 0 HA VAL A 12 5.178 -3.097 1.882 1.00 0.00 H new ATOM 0 HB VAL A 12 4.309 -5.314 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.952 -5.835 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.991 -6.134 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.949 -4.691 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.514 -4.164 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.593 -2.830 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.998 -3.191 -0.204 1.00 0.00 H new ATOM 193 N SER A 13 3.802 -3.905 4.673 1.00 0.00 N ATOM 194 CA SER A 13 3.093 -3.565 5.862 1.00 0.00 C ATOM 195 C SER A 13 3.637 -2.304 6.521 1.00 0.00 C ATOM 196 O SER A 13 2.864 -1.447 6.983 1.00 0.00 O ATOM 197 CB SER A 13 3.242 -4.752 6.776 1.00 0.00 C ATOM 198 OG SER A 13 4.568 -5.276 6.654 1.00 0.00 O ATOM 0 H SER A 13 4.336 -4.768 4.771 1.00 0.00 H new ATOM 0 HA SER A 13 2.049 -3.347 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.048 -4.458 7.808 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.510 -5.518 6.519 1.00 0.00 H new ATOM 0 HG SER A 13 4.671 -6.048 7.248 1.00 0.00 H new ATOM 204 N HIS A 14 4.964 -2.185 6.525 1.00 0.00 N ATOM 205 CA HIS A 14 5.668 -1.066 7.166 1.00 0.00 C ATOM 206 C HIS A 14 5.200 0.250 6.584 1.00 0.00 C ATOM 207 O HIS A 14 5.045 1.246 7.311 1.00 0.00 O ATOM 208 CB HIS A 14 7.193 -1.171 6.992 1.00 0.00 C ATOM 209 CG HIS A 14 7.792 -2.489 7.365 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.584 -3.141 8.561 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.579 -3.301 6.633 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.232 -4.304 8.508 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.857 -4.448 7.355 1.00 0.00 N ATOM 0 H HIS A 14 5.586 -2.862 6.084 1.00 0.00 H new ATOM 0 HA HIS A 14 5.437 -1.111 8.230 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.438 -0.961 5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.665 -0.394 7.593 1.00 0.00 H new ATOM 0 HD1 HIS A 14 7.033 -2.795 9.346 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.938 -3.089 5.636 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.244 -5.033 9.304 1.00 0.00 H new ATOM 221 N TRP A 15 4.972 0.253 5.277 1.00 0.00 N ATOM 222 CA TRP A 15 4.446 1.411 4.607 1.00 0.00 C ATOM 223 C TRP A 15 3.045 1.690 5.106 1.00 0.00 C ATOM 224 O TRP A 15 2.834 2.701 5.739 1.00 0.00 O ATOM 225 CB TRP A 15 4.494 1.247 3.071 1.00 0.00 C ATOM 226 CG TRP A 15 3.697 2.278 2.303 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.975 3.610 2.138 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.487 2.035 1.586 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.991 4.202 1.382 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.068 3.255 1.029 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.716 0.900 1.371 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.904 3.362 0.273 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.573 1.012 0.620 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.179 2.225 0.087 1.00 0.00 C ATOM 0 H TRP A 15 5.148 -0.544 4.666 1.00 0.00 H new ATOM 0 HA TRP A 15 5.072 2.272 4.841 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.533 1.294 2.746 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.124 0.255 2.813 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.838 4.119 2.542 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.955 5.189 1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.010 -0.052 1.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.590 4.306 -0.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.031 0.135 0.442 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.730 2.272 -0.494 1.00 0.00 H new ATOM 245 N LEU A 16 2.138 0.728 4.902 1.00 0.00 N ATOM 246 CA LEU A 16 0.707 0.828 5.270 1.00 0.00 C ATOM 247 C LEU A 16 0.507 1.391 6.664 1.00 0.00 C ATOM 248 O LEU A 16 -0.186 2.384 6.840 1.00 0.00 O ATOM 249 CB LEU A 16 0.069 -0.558 5.169 1.00 0.00 C ATOM 250 CG LEU A 16 -0.055 -1.107 3.746 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.209 -2.595 3.756 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.255 -0.492 3.051 1.00 0.00 C ATOM 0 H LEU A 16 2.376 -0.164 4.468 1.00 0.00 H new ATOM 0 HA LEU A 16 0.228 1.519 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.658 -1.257 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.925 -0.518 5.616 1.00 0.00 H new ATOM 0 HG LEU A 16 0.858 -0.848 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.295 -2.959 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.662 -3.048 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.106 -2.864 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.333 -0.890 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.161 -0.734 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.135 0.590 3.007 1.00 0.00 H new ATOM 264 N VAL A 17 1.160 0.809 7.629 1.00 0.00 N ATOM 265 CA VAL A 17 1.016 1.218 9.018 1.00 0.00 C ATOM 266 C VAL A 17 1.486 2.677 9.231 1.00 0.00 C ATOM 267 O VAL A 17 0.948 3.407 10.076 1.00 0.00 O ATOM 268 CB VAL A 17 1.788 0.256 9.938 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.691 0.655 11.409 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.301 -1.166 9.746 1.00 0.00 C ATOM 0 H VAL A 17 1.810 0.036 7.486 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.043 1.175 9.274 1.00 0.00 H new ATOM 0 HB VAL A 17 2.839 0.318 9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.252 -0.055 12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.105 1.654 11.543 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.646 0.651 11.719 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.858 -1.833 10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.239 -1.222 9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.455 -1.467 8.710 1.00 0.00 H new ATOM 280 N GLY A 18 2.406 3.116 8.390 1.00 0.00 N ATOM 281 CA GLY A 18 2.965 4.443 8.495 1.00 0.00 C ATOM 282 C GLY A 18 1.960 5.512 8.132 1.00 0.00 C ATOM 283 O GLY A 18 2.002 6.609 8.658 1.00 0.00 O ATOM 0 H GLY A 18 2.782 2.562 7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.318 4.608 9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.832 4.524 7.840 1.00 0.00 H new ATOM 287 N LEU A 19 1.050 5.191 7.240 1.00 0.00 N ATOM 288 CA LEU A 19 0.009 6.137 6.861 1.00 0.00 C ATOM 289 C LEU A 19 -1.317 5.794 7.528 1.00 0.00 C ATOM 290 O LEU A 19 -2.368 6.316 7.138 1.00 0.00 O ATOM 291 CB LEU A 19 -0.157 6.255 5.321 1.00 0.00 C ATOM 292 CG LEU A 19 -0.228 4.956 4.518 1.00 0.00 C ATOM 293 CD1 LEU A 19 -0.964 5.163 3.226 1.00 0.00 C ATOM 294 CD2 LEU A 19 1.146 4.511 4.175 1.00 0.00 C ATOM 0 H LEU A 19 1.004 4.291 6.763 1.00 0.00 H new ATOM 0 HA LEU A 19 0.331 7.115 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.066 6.823 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.676 6.843 4.937 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.746 4.216 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.001 4.224 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.979 5.500 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.448 5.915 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.096 3.585 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.639 5.279 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.713 4.342 5.091 1.00 0.00 H new ATOM 306 N SER A 20 -1.246 4.935 8.560 1.00 0.00 N ATOM 307 CA SER A 20 -2.416 4.475 9.334 1.00 0.00 C ATOM 308 C SER A 20 -3.338 3.594 8.470 1.00 0.00 C ATOM 309 O SER A 20 -4.523 3.425 8.735 1.00 0.00 O ATOM 310 CB SER A 20 -3.163 5.669 9.947 1.00 0.00 C ATOM 311 OG SER A 20 -2.266 6.476 10.716 1.00 0.00 O ATOM 0 H SER A 20 -0.366 4.535 8.885 1.00 0.00 H new ATOM 0 HA SER A 20 -2.065 3.854 10.158 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.615 6.268 9.157 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.975 5.312 10.580 1.00 0.00 H new ATOM 0 HG SER A 20 -2.755 7.234 11.099 1.00 0.00 H new ATOM 317 N LEU A 21 -2.728 2.966 7.495 1.00 0.00 N ATOM 318 CA LEU A 21 -3.358 2.051 6.572 1.00 0.00 C ATOM 319 C LEU A 21 -3.108 0.637 7.045 1.00 0.00 C ATOM 320 O LEU A 21 -3.219 -0.319 6.288 1.00 0.00 O ATOM 321 CB LEU A 21 -2.800 2.259 5.150 1.00 0.00 C ATOM 322 CG LEU A 21 -3.533 3.240 4.226 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.674 2.549 3.549 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.057 4.447 4.983 1.00 0.00 C ATOM 0 H LEU A 21 -1.731 3.084 7.314 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.432 2.237 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.767 2.595 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.776 1.288 4.655 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.814 3.590 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.189 3.253 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.295 1.715 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.370 2.175 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.569 5.116 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.754 4.119 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.224 4.974 5.448 1.00 0.00 H new ATOM 336 N ASP A 22 -2.803 0.514 8.329 1.00 0.00 N ATOM 337 CA ASP A 22 -2.595 -0.765 8.996 1.00 0.00 C ATOM 338 C ASP A 22 -3.834 -1.673 8.950 1.00 0.00 C ATOM 339 O ASP A 22 -3.768 -2.839 9.326 1.00 0.00 O ATOM 340 CB ASP A 22 -2.145 -0.567 10.438 1.00 0.00 C ATOM 341 CG ASP A 22 -3.152 0.142 11.287 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.311 1.361 11.121 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.786 -0.493 12.143 1.00 0.00 O ATOM 0 H ASP A 22 -2.691 1.316 8.949 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.804 -1.269 8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.930 -1.540 10.880 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.213 -0.001 10.445 1.00 0.00 H new ATOM 348 N GLN A 23 -4.963 -1.155 8.522 1.00 0.00 N ATOM 349 CA GLN A 23 -6.100 -2.027 8.314 1.00 0.00 C ATOM 350 C GLN A 23 -6.049 -2.695 6.934 1.00 0.00 C ATOM 351 O GLN A 23 -6.677 -3.714 6.708 1.00 0.00 O ATOM 352 CB GLN A 23 -7.441 -1.335 8.526 1.00 0.00 C ATOM 353 CG GLN A 23 -7.814 -0.219 7.552 1.00 0.00 C ATOM 354 CD GLN A 23 -7.349 1.144 8.002 1.00 0.00 C ATOM 355 OE1 GLN A 23 -8.038 1.825 8.754 1.00 0.00 O ATOM 356 NE2 GLN A 23 -6.253 1.591 7.487 1.00 0.00 N ATOM 0 H GLN A 23 -5.119 -0.168 8.316 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.024 -2.798 9.080 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.223 -2.094 8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.451 -0.921 9.534 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.382 -0.439 6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.897 -0.203 7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.703 0.999 6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.937 2.537 7.702 1.00 0.00 H new ATOM 365 N TYR A 24 -5.258 -2.139 6.035 1.00 0.00 N ATOM 366 CA TYR A 24 -5.156 -2.652 4.681 1.00 0.00 C ATOM 367 C TYR A 24 -4.154 -3.791 4.576 1.00 0.00 C ATOM 368 O TYR A 24 -4.306 -4.679 3.732 1.00 0.00 O ATOM 369 CB TYR A 24 -4.829 -1.538 3.697 1.00 0.00 C ATOM 370 CG TYR A 24 -6.016 -1.051 2.896 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.904 -0.113 3.397 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.233 -1.536 1.621 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.982 0.319 2.635 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.301 -1.108 0.856 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.167 -0.182 1.361 1.00 0.00 C ATOM 376 OH TYR A 24 -9.241 0.233 0.586 1.00 0.00 O ATOM 0 H TYR A 24 -4.672 -1.325 6.220 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.132 -3.060 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.405 -0.697 4.245 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.060 -1.890 3.009 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.757 0.286 4.390 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.551 -2.267 1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.674 1.044 3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.450 -1.505 -0.137 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.372 -0.396 -0.154 1.00 0.00 H new ATOM 386 N VAL A 25 -3.154 -3.791 5.461 1.00 0.00 N ATOM 387 CA VAL A 25 -2.138 -4.861 5.499 1.00 0.00 C ATOM 388 C VAL A 25 -2.760 -6.243 5.731 1.00 0.00 C ATOM 389 O VAL A 25 -2.229 -7.261 5.261 1.00 0.00 O ATOM 390 CB VAL A 25 -0.926 -4.538 6.467 1.00 0.00 C ATOM 391 CG1 VAL A 25 -1.371 -3.831 7.698 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.116 -5.774 6.839 1.00 0.00 C ATOM 0 H VAL A 25 -3.021 -3.064 6.164 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.694 -4.898 4.504 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.272 -3.875 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.509 -3.629 8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.849 -2.890 7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.082 -4.455 8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.700 -5.488 7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.761 -6.493 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.293 -6.226 5.936 1.00 0.00 H new ATOM 402 N SER A 26 -3.926 -6.247 6.366 1.00 0.00 N ATOM 403 CA SER A 26 -4.702 -7.441 6.617 1.00 0.00 C ATOM 404 C SER A 26 -4.982 -8.216 5.310 1.00 0.00 C ATOM 405 O SER A 26 -4.882 -9.436 5.274 1.00 0.00 O ATOM 406 CB SER A 26 -6.009 -7.015 7.258 1.00 0.00 C ATOM 407 OG SER A 26 -5.747 -6.165 8.373 1.00 0.00 O ATOM 0 H SER A 26 -4.362 -5.398 6.726 1.00 0.00 H new ATOM 0 HA SER A 26 -4.144 -8.108 7.275 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.629 -6.493 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.569 -7.893 7.582 1.00 0.00 H new ATOM 0 HG SER A 26 -5.976 -5.241 8.141 1.00 0.00 H new ATOM 413 N GLU A 27 -5.291 -7.501 4.234 1.00 0.00 N ATOM 414 CA GLU A 27 -5.572 -8.156 2.972 1.00 0.00 C ATOM 415 C GLU A 27 -4.410 -7.982 1.992 1.00 0.00 C ATOM 416 O GLU A 27 -4.193 -8.831 1.145 1.00 0.00 O ATOM 417 CB GLU A 27 -6.906 -7.678 2.384 1.00 0.00 C ATOM 418 CG GLU A 27 -7.321 -8.338 1.060 1.00 0.00 C ATOM 419 CD GLU A 27 -7.433 -9.850 1.105 1.00 0.00 C ATOM 420 OE1 GLU A 27 -7.782 -10.411 2.154 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.220 -10.506 0.044 1.00 0.00 O ATOM 0 H GLU A 27 -5.352 -6.483 4.214 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.674 -9.225 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.691 -7.855 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.850 -6.600 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.282 -7.927 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.597 -8.065 0.293 1.00 0.00 H new ATOM 428 N PHE A 28 -3.640 -6.894 2.131 1.00 0.00 N ATOM 429 CA PHE A 28 -2.440 -6.672 1.292 1.00 0.00 C ATOM 430 C PHE A 28 -1.510 -7.875 1.364 1.00 0.00 C ATOM 431 O PHE A 28 -1.048 -8.392 0.337 1.00 0.00 O ATOM 432 CB PHE A 28 -1.691 -5.419 1.742 1.00 0.00 C ATOM 433 CG PHE A 28 -1.892 -4.194 0.890 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.143 -3.630 0.717 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.810 -3.602 0.264 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.303 -2.500 -0.066 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.967 -2.475 -0.513 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.218 -1.925 -0.677 1.00 0.00 C ATOM 0 H PHE A 28 -3.820 -6.155 2.810 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.770 -6.536 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.995 -5.183 2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.625 -5.647 1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.002 -4.075 1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.174 -4.030 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.285 -2.070 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.110 -2.024 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.345 -1.042 -1.286 1.00 0.00 H new ATOM 448 N SER A 29 -1.314 -8.369 2.575 1.00 0.00 N ATOM 449 CA SER A 29 -0.464 -9.512 2.805 1.00 0.00 C ATOM 450 C SER A 29 -1.105 -10.786 2.235 1.00 0.00 C ATOM 451 O SER A 29 -0.422 -11.687 1.764 1.00 0.00 O ATOM 452 CB SER A 29 -0.220 -9.666 4.301 1.00 0.00 C ATOM 453 OG SER A 29 0.262 -8.444 4.856 1.00 0.00 O ATOM 0 H SER A 29 -1.740 -7.987 3.419 1.00 0.00 H new ATOM 0 HA SER A 29 0.488 -9.356 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.145 -9.958 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.503 -10.463 4.478 1.00 0.00 H new ATOM 0 HG SER A 29 -0.496 -7.862 5.074 1.00 0.00 H new ATOM 459 N ALA A 30 -2.422 -10.801 2.201 1.00 0.00 N ATOM 460 CA ALA A 30 -3.173 -11.957 1.769 1.00 0.00 C ATOM 461 C ALA A 30 -3.167 -12.106 0.252 1.00 0.00 C ATOM 462 O ALA A 30 -3.489 -13.173 -0.270 1.00 0.00 O ATOM 463 CB ALA A 30 -4.589 -11.885 2.288 1.00 0.00 C ATOM 0 H ALA A 30 -3.002 -10.007 2.474 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.686 -12.840 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.144 -12.762 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.576 -11.856 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.071 -10.985 1.907 1.00 0.00 H new ATOM 469 N GLN A 31 -2.873 -11.033 -0.464 1.00 0.00 N ATOM 470 CA GLN A 31 -2.752 -11.144 -1.920 1.00 0.00 C ATOM 471 C GLN A 31 -1.305 -11.057 -2.310 1.00 0.00 C ATOM 472 O GLN A 31 -0.980 -11.039 -3.499 1.00 0.00 O ATOM 473 CB GLN A 31 -3.539 -10.070 -2.673 1.00 0.00 C ATOM 474 CG GLN A 31 -4.608 -9.398 -1.865 1.00 0.00 C ATOM 475 CD GLN A 31 -5.617 -8.665 -2.706 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.312 -8.149 -3.781 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.836 -8.652 -2.254 1.00 0.00 N ATOM 0 H GLN A 31 -2.717 -10.100 -0.082 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.175 -12.109 -2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.842 -9.312 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.997 -10.523 -3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.123 -10.146 -1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.143 -8.696 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.053 -9.090 -1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.576 -8.204 -2.795 1.00 0.00 H new ATOM 486 N ASN A 32 -0.434 -10.990 -1.291 1.00 0.00 N ATOM 487 CA ASN A 32 1.010 -10.928 -1.473 1.00 0.00 C ATOM 488 C ASN A 32 1.391 -9.690 -2.251 1.00 0.00 C ATOM 489 O ASN A 32 2.313 -9.714 -3.088 1.00 0.00 O ATOM 490 CB ASN A 32 1.529 -12.199 -2.164 1.00 0.00 C ATOM 491 CG ASN A 32 1.259 -13.454 -1.353 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.064 -13.847 -0.509 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.154 -14.102 -1.615 1.00 0.00 N ATOM 0 H ASN A 32 -0.723 -10.978 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 32 1.480 -10.869 -0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.058 -12.295 -3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.601 -12.104 -2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.064 -14.963 -1.113 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.490 -13.747 -2.321 1.00 0.00 H new ATOM 500 N ILE A 33 0.696 -8.597 -1.951 1.00 0.00 N ATOM 501 CA ILE A 33 0.924 -7.338 -2.615 1.00 0.00 C ATOM 502 C ILE A 33 2.296 -6.818 -2.215 1.00 0.00 C ATOM 503 O ILE A 33 2.529 -6.540 -1.050 1.00 0.00 O ATOM 504 CB ILE A 33 -0.153 -6.261 -2.238 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.574 -6.733 -2.598 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.145 -4.923 -2.932 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.797 -6.977 -4.080 1.00 0.00 C ATOM 0 H ILE A 33 -0.037 -8.569 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 33 0.860 -7.511 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.104 -6.119 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.787 -7.654 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.290 -5.987 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.615 -4.192 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.125 -4.562 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.136 -5.064 -4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.823 -7.306 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.620 -6.054 -4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.109 -7.746 -4.430 1.00 0.00 H new ATOM 519 N SER A 34 3.200 -6.732 -3.151 1.00 0.00 N ATOM 520 CA SER A 34 4.503 -6.231 -2.846 1.00 0.00 C ATOM 521 C SER A 34 4.599 -4.809 -3.360 1.00 0.00 C ATOM 522 O SER A 34 3.594 -4.239 -3.806 1.00 0.00 O ATOM 523 CB SER A 34 5.579 -7.104 -3.506 1.00 0.00 C ATOM 524 OG SER A 34 5.522 -7.026 -4.928 1.00 0.00 O ATOM 0 H SER A 34 3.056 -7.001 -4.124 1.00 0.00 H new ATOM 0 HA SER A 34 4.665 -6.252 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.564 -6.788 -3.163 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.450 -8.140 -3.193 1.00 0.00 H new ATOM 0 HG SER A 34 4.746 -7.530 -5.252 1.00 0.00 H new ATOM 530 N GLY A 35 5.805 -4.266 -3.360 1.00 0.00 N ATOM 531 CA GLY A 35 6.050 -2.937 -3.855 1.00 0.00 C ATOM 532 C GLY A 35 5.687 -2.817 -5.314 1.00 0.00 C ATOM 533 O GLY A 35 5.252 -1.765 -5.759 1.00 0.00 O ATOM 0 H GLY A 35 6.638 -4.742 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.471 -2.219 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.101 -2.684 -3.718 1.00 0.00 H new ATOM 537 N GLU A 36 5.799 -3.936 -6.033 1.00 0.00 N ATOM 538 CA GLU A 36 5.472 -4.003 -7.449 1.00 0.00 C ATOM 539 C GLU A 36 4.019 -3.593 -7.659 1.00 0.00 C ATOM 540 O GLU A 36 3.703 -2.781 -8.521 1.00 0.00 O ATOM 541 CB GLU A 36 5.681 -5.426 -7.962 1.00 0.00 C ATOM 542 CG GLU A 36 5.492 -5.577 -9.460 1.00 0.00 C ATOM 543 CD GLU A 36 5.618 -7.002 -9.911 1.00 0.00 C ATOM 544 OE1 GLU A 36 6.742 -7.461 -10.165 1.00 0.00 O ATOM 545 OE2 GLU A 36 4.581 -7.698 -10.013 1.00 0.00 O ATOM 0 H GLU A 36 6.121 -4.822 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 36 6.123 -3.324 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.687 -5.752 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.986 -6.091 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.510 -5.196 -9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.231 -4.967 -9.980 1.00 0.00 H new ATOM 552 N GLN A 37 3.146 -4.109 -6.821 1.00 0.00 N ATOM 553 CA GLN A 37 1.751 -3.799 -6.943 1.00 0.00 C ATOM 554 C GLN A 37 1.338 -2.636 -6.067 1.00 0.00 C ATOM 555 O GLN A 37 0.216 -2.172 -6.152 1.00 0.00 O ATOM 556 CB GLN A 37 0.816 -5.023 -6.780 1.00 0.00 C ATOM 557 CG GLN A 37 1.354 -6.226 -6.016 1.00 0.00 C ATOM 558 CD GLN A 37 2.419 -7.031 -6.749 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.259 -7.649 -6.117 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.402 -7.024 -8.056 1.00 0.00 N ATOM 0 H GLN A 37 3.382 -4.740 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 37 1.622 -3.479 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.093 -4.687 -6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.527 -5.360 -7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.769 -5.880 -5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.521 -6.887 -5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.685 -6.496 -8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.106 -7.546 -8.578 1.00 0.00 H new ATOM 569 N LEU A 38 2.268 -2.155 -5.277 1.00 0.00 N ATOM 570 CA LEU A 38 2.054 -1.028 -4.389 1.00 0.00 C ATOM 571 C LEU A 38 2.178 0.253 -5.219 1.00 0.00 C ATOM 572 O LEU A 38 1.322 1.125 -5.189 1.00 0.00 O ATOM 573 CB LEU A 38 3.145 -1.060 -3.295 1.00 0.00 C ATOM 574 CG LEU A 38 2.915 -0.293 -1.986 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.095 -0.500 -1.068 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.722 1.181 -2.216 1.00 0.00 C ATOM 0 H LEU A 38 3.212 -2.539 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 38 1.071 -1.069 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.320 -2.104 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.066 -0.682 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 38 2.003 -0.682 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.932 0.045 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.206 -1.563 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.000 -0.132 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.563 1.681 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.609 1.593 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.854 1.339 -2.857 1.00 0.00 H new ATOM 588 N LEU A 39 3.245 0.330 -5.976 1.00 0.00 N ATOM 589 CA LEU A 39 3.548 1.492 -6.803 1.00 0.00 C ATOM 590 C LEU A 39 2.463 1.734 -7.847 1.00 0.00 C ATOM 591 O LEU A 39 2.075 2.873 -8.107 1.00 0.00 O ATOM 592 CB LEU A 39 4.893 1.267 -7.477 1.00 0.00 C ATOM 593 CG LEU A 39 6.081 1.121 -6.525 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.261 0.471 -7.238 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.466 2.491 -5.955 1.00 0.00 C ATOM 0 H LEU A 39 3.939 -0.414 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 39 3.588 2.379 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.828 0.369 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.088 2.101 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 39 5.795 0.473 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.097 0.375 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.971 -0.517 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.560 1.089 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.313 2.378 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.740 3.160 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.619 2.910 -5.411 1.00 0.00 H new ATOM 607 N GLN A 40 1.961 0.668 -8.417 1.00 0.00 N ATOM 608 CA GLN A 40 0.942 0.775 -9.458 1.00 0.00 C ATOM 609 C GLN A 40 -0.503 0.682 -8.899 1.00 0.00 C ATOM 610 O GLN A 40 -1.460 0.518 -9.669 1.00 0.00 O ATOM 611 CB GLN A 40 1.223 -0.245 -10.602 1.00 0.00 C ATOM 612 CG GLN A 40 1.141 -1.721 -10.211 1.00 0.00 C ATOM 613 CD GLN A 40 -0.253 -2.306 -10.335 1.00 0.00 C ATOM 614 OE1 GLN A 40 -1.036 -1.921 -11.192 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.587 -3.200 -9.468 1.00 0.00 N ATOM 0 H GLN A 40 2.234 -0.287 -8.186 1.00 0.00 H new ATOM 0 HA GLN A 40 1.009 1.774 -9.888 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.513 -0.062 -11.409 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.218 -0.049 -11.002 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.823 -2.293 -10.840 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.484 -1.835 -9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.085 -3.504 -8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.524 -3.604 -9.487 1.00 0.00 H new ATOM 624 N LEU A 41 -0.661 0.840 -7.570 1.00 0.00 N ATOM 625 CA LEU A 41 -1.986 0.814 -6.925 1.00 0.00 C ATOM 626 C LEU A 41 -2.950 1.832 -7.522 1.00 0.00 C ATOM 627 O LEU A 41 -2.546 2.826 -8.141 1.00 0.00 O ATOM 628 CB LEU A 41 -1.897 1.069 -5.437 1.00 0.00 C ATOM 629 CG LEU A 41 -1.444 -0.078 -4.564 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.222 0.436 -3.188 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.491 -1.179 -4.522 1.00 0.00 C ATOM 0 H LEU A 41 0.114 0.987 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.368 -0.190 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.215 1.904 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.879 1.390 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.525 -0.495 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.894 -0.380 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.457 1.212 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.152 0.853 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.139 -1.992 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.422 -0.781 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.664 -1.555 -5.530 1.00 0.00 H new ATOM 643 N ASP A 42 -4.210 1.602 -7.291 1.00 0.00 N ATOM 644 CA ASP A 42 -5.278 2.417 -7.821 1.00 0.00 C ATOM 645 C ASP A 42 -6.493 2.101 -6.979 1.00 0.00 C ATOM 646 O ASP A 42 -6.419 1.164 -6.160 1.00 0.00 O ATOM 647 CB ASP A 42 -5.539 2.014 -9.295 1.00 0.00 C ATOM 648 CG ASP A 42 -6.544 2.897 -9.997 1.00 0.00 C ATOM 649 OD1 ASP A 42 -7.756 2.651 -9.883 1.00 0.00 O ATOM 650 OD2 ASP A 42 -6.131 3.874 -10.651 1.00 0.00 O ATOM 0 H ASP A 42 -4.537 0.826 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.039 3.480 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.597 2.044 -9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.892 0.983 -9.324 1.00 0.00 H new ATOM 655 N GLY A 43 -7.594 2.833 -7.153 1.00 0.00 N ATOM 656 CA GLY A 43 -8.813 2.516 -6.456 1.00 0.00 C ATOM 657 C GLY A 43 -9.266 1.152 -6.839 1.00 0.00 C ATOM 658 O GLY A 43 -9.765 0.432 -6.013 1.00 0.00 O ATOM 0 H GLY A 43 -7.654 3.643 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.652 2.568 -5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.584 3.248 -6.699 1.00 0.00 H new ATOM 662 N ASN A 44 -9.026 0.794 -8.102 1.00 0.00 N ATOM 663 CA ASN A 44 -9.338 -0.525 -8.636 1.00 0.00 C ATOM 664 C ASN A 44 -8.773 -1.618 -7.756 1.00 0.00 C ATOM 665 O ASN A 44 -9.485 -2.553 -7.370 1.00 0.00 O ATOM 666 CB ASN A 44 -8.821 -0.659 -10.066 1.00 0.00 C ATOM 667 CG ASN A 44 -9.665 0.088 -11.094 1.00 0.00 C ATOM 668 OD1 ASN A 44 -10.342 1.078 -10.786 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.616 -0.359 -12.319 1.00 0.00 N ATOM 0 H ASN A 44 -8.605 1.422 -8.787 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.422 -0.636 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.797 -0.287 -10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.788 -1.715 -10.334 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.145 0.110 -13.054 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.049 -1.177 -12.541 1.00 0.00 H new ATOM 676 N LYS A 45 -7.506 -1.485 -7.401 1.00 0.00 N ATOM 677 CA LYS A 45 -6.880 -2.420 -6.506 1.00 0.00 C ATOM 678 C LYS A 45 -7.439 -2.296 -5.102 1.00 0.00 C ATOM 679 O LYS A 45 -7.754 -3.278 -4.495 1.00 0.00 O ATOM 680 CB LYS A 45 -5.367 -2.267 -6.500 1.00 0.00 C ATOM 681 CG LYS A 45 -4.779 -2.320 -7.881 1.00 0.00 C ATOM 682 CD LYS A 45 -3.348 -2.854 -7.904 1.00 0.00 C ATOM 683 CE LYS A 45 -3.193 -4.264 -7.292 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.979 -5.310 -7.988 1.00 0.00 N ATOM 0 H LYS A 45 -6.897 -0.734 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.109 -3.420 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.103 -1.319 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.927 -3.057 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.406 -2.950 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.794 -1.320 -8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.996 -2.876 -8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.704 -2.161 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.139 -4.543 -7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.497 -4.231 -6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.825 -6.227 -7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.990 -5.068 -7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.674 -5.370 -8.981 1.00 0.00 H new ATOM 698 N LEU A 46 -7.627 -1.074 -4.622 1.00 0.00 N ATOM 699 CA LEU A 46 -8.155 -0.828 -3.259 1.00 0.00 C ATOM 700 C LEU A 46 -9.552 -1.448 -3.082 1.00 0.00 C ATOM 701 O LEU A 46 -9.978 -1.798 -1.955 1.00 0.00 O ATOM 702 CB LEU A 46 -8.206 0.676 -2.977 1.00 0.00 C ATOM 703 CG LEU A 46 -6.865 1.419 -3.051 1.00 0.00 C ATOM 704 CD1 LEU A 46 -7.060 2.908 -2.824 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.869 0.850 -2.048 1.00 0.00 C ATOM 0 H LEU A 46 -7.425 -0.224 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.482 -1.304 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.893 1.136 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.627 0.825 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.458 1.275 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.096 3.414 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.726 3.308 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.498 3.072 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.927 1.394 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.270 0.952 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.696 -0.204 -2.265 1.00 0.00 H new ATOM 717 N LYS A 47 -10.254 -1.562 -4.190 1.00 0.00 N ATOM 718 CA LYS A 47 -11.546 -2.196 -4.250 1.00 0.00 C ATOM 719 C LYS A 47 -11.373 -3.713 -4.313 1.00 0.00 C ATOM 720 O LYS A 47 -12.071 -4.457 -3.629 1.00 0.00 O ATOM 721 CB LYS A 47 -12.337 -1.668 -5.460 1.00 0.00 C ATOM 722 CG LYS A 47 -12.608 -0.166 -5.384 1.00 0.00 C ATOM 723 CD LYS A 47 -13.055 0.435 -6.722 1.00 0.00 C ATOM 724 CE LYS A 47 -14.419 -0.081 -7.159 1.00 0.00 C ATOM 725 NZ LYS A 47 -14.876 0.548 -8.418 1.00 0.00 N ATOM 0 H LYS A 47 -9.932 -1.208 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.114 -1.956 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.783 -1.886 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.286 -2.200 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.377 0.021 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.705 0.343 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.090 1.521 -6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.317 0.199 -7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.372 -1.162 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.148 0.113 -6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.808 0.167 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.947 1.577 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.195 0.342 -9.176 1.00 0.00 H new ATOM 739 N ALA A 48 -10.389 -4.158 -5.078 1.00 0.00 N ATOM 740 CA ALA A 48 -10.090 -5.588 -5.230 1.00 0.00 C ATOM 741 C ALA A 48 -9.424 -6.167 -3.963 1.00 0.00 C ATOM 742 O ALA A 48 -9.255 -7.379 -3.821 1.00 0.00 O ATOM 743 CB ALA A 48 -9.241 -5.837 -6.465 1.00 0.00 C ATOM 0 H ALA A 48 -9.772 -3.547 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.037 -6.111 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.033 -6.903 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.778 -5.496 -7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.302 -5.291 -6.377 1.00 0.00 H new ATOM 749 N LEU A 49 -9.023 -5.286 -3.069 1.00 0.00 N ATOM 750 CA LEU A 49 -8.547 -5.656 -1.743 1.00 0.00 C ATOM 751 C LEU A 49 -9.738 -5.981 -0.828 1.00 0.00 C ATOM 752 O LEU A 49 -9.563 -6.316 0.332 1.00 0.00 O ATOM 753 CB LEU A 49 -7.681 -4.525 -1.117 1.00 0.00 C ATOM 754 CG LEU A 49 -6.138 -4.573 -1.312 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.550 -5.772 -0.632 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.722 -4.569 -2.766 1.00 0.00 C ATOM 0 H LEU A 49 -9.017 -4.281 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.919 -6.542 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.036 -3.576 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.879 -4.512 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.752 -3.661 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.471 -5.783 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.767 -5.728 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.984 -6.679 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.635 -4.604 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.145 -5.439 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.087 -3.661 -3.246 1.00 0.00 H new ATOM 768 N GLY A 50 -10.960 -5.811 -1.354 1.00 0.00 N ATOM 769 CA GLY A 50 -12.183 -6.143 -0.615 1.00 0.00 C ATOM 770 C GLY A 50 -12.451 -5.190 0.524 1.00 0.00 C ATOM 771 O GLY A 50 -13.341 -5.408 1.341 1.00 0.00 O ATOM 0 H GLY A 50 -11.126 -5.444 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.031 -6.132 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.102 -7.157 -0.224 1.00 0.00 H new ATOM 775 N MET A 51 -11.684 -4.138 0.565 1.00 0.00 N ATOM 776 CA MET A 51 -11.779 -3.151 1.605 1.00 0.00 C ATOM 777 C MET A 51 -12.704 -2.053 1.213 1.00 0.00 C ATOM 778 O MET A 51 -13.691 -1.799 1.882 1.00 0.00 O ATOM 779 CB MET A 51 -10.430 -2.593 1.905 1.00 0.00 C ATOM 780 CG MET A 51 -9.519 -3.535 2.670 1.00 0.00 C ATOM 781 SD MET A 51 -10.215 -4.025 4.253 1.00 0.00 S ATOM 782 CE MET A 51 -8.943 -5.135 4.846 1.00 0.00 C ATOM 0 H MET A 51 -10.966 -3.938 -0.131 1.00 0.00 H new ATOM 0 HA MET A 51 -12.176 -3.634 2.498 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.946 -2.320 0.967 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.549 -1.675 2.481 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.332 -4.424 2.068 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.556 -3.052 2.833 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.096 -5.330 5.908 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.993 -6.074 4.294 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.964 -4.679 4.698 1.00 0.00 H new ATOM 792 N THR A 52 -12.371 -1.396 0.102 1.00 0.00 N ATOM 793 CA THR A 52 -13.185 -0.344 -0.520 1.00 0.00 C ATOM 794 C THR A 52 -13.470 0.840 0.446 1.00 0.00 C ATOM 795 O THR A 52 -14.439 1.580 0.273 1.00 0.00 O ATOM 796 CB THR A 52 -14.523 -0.956 -1.079 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.430 -1.324 -0.022 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.205 -2.213 -1.866 1.00 0.00 C ATOM 0 H THR A 52 -11.506 -1.583 -0.406 1.00 0.00 H new ATOM 0 HA THR A 52 -12.610 0.069 -1.349 1.00 0.00 H new ATOM 0 HB THR A 52 -14.993 -0.196 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.957 -1.307 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.128 -2.642 -2.256 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.542 -1.965 -2.695 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.716 -2.937 -1.214 1.00 0.00 H new ATOM 806 N SER A 53 -12.598 1.034 1.415 1.00 0.00 N ATOM 807 CA SER A 53 -12.759 2.035 2.425 1.00 0.00 C ATOM 808 C SER A 53 -12.593 3.448 1.850 1.00 0.00 C ATOM 809 O SER A 53 -11.525 3.793 1.347 1.00 0.00 O ATOM 810 CB SER A 53 -11.711 1.769 3.458 1.00 0.00 C ATOM 811 OG SER A 53 -11.748 0.403 3.863 1.00 0.00 O ATOM 0 H SER A 53 -11.745 0.484 1.516 1.00 0.00 H new ATOM 0 HA SER A 53 -13.762 1.988 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.726 2.009 3.057 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.870 2.415 4.321 1.00 0.00 H new ATOM 0 HG SER A 53 -11.056 0.243 4.538 1.00 0.00 H new ATOM 817 N SER A 54 -13.636 4.257 1.947 1.00 0.00 N ATOM 818 CA SER A 54 -13.632 5.603 1.392 1.00 0.00 C ATOM 819 C SER A 54 -12.582 6.516 2.049 1.00 0.00 C ATOM 820 O SER A 54 -11.972 7.355 1.363 1.00 0.00 O ATOM 821 CB SER A 54 -15.033 6.209 1.441 1.00 0.00 C ATOM 822 OG SER A 54 -15.949 5.404 0.693 1.00 0.00 O ATOM 0 H SER A 54 -14.507 4.001 2.411 1.00 0.00 H new ATOM 0 HA SER A 54 -13.336 5.521 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.367 6.286 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.013 7.221 1.036 1.00 0.00 H new ATOM 0 HG SER A 54 -16.843 5.802 0.734 1.00 0.00 H new ATOM 828 N GLN A 55 -12.337 6.330 3.358 1.00 0.00 N ATOM 829 CA GLN A 55 -11.289 7.104 4.039 1.00 0.00 C ATOM 830 C GLN A 55 -9.944 6.857 3.381 1.00 0.00 C ATOM 831 O GLN A 55 -9.207 7.790 3.047 1.00 0.00 O ATOM 832 CB GLN A 55 -11.175 6.768 5.543 1.00 0.00 C ATOM 833 CG GLN A 55 -11.045 5.280 5.863 1.00 0.00 C ATOM 834 CD GLN A 55 -10.378 5.029 7.192 1.00 0.00 C ATOM 835 OE1 GLN A 55 -11.027 5.003 8.235 1.00 0.00 O ATOM 836 NE2 GLN A 55 -9.105 4.754 7.157 1.00 0.00 N ATOM 0 H GLN A 55 -12.837 5.668 3.951 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.575 8.152 3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.310 7.289 5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.054 7.159 6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.035 4.825 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.472 4.791 5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.600 4.786 6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.613 4.506 8.015 1.00 0.00 H new ATOM 845 N ASP A 56 -9.681 5.602 3.120 1.00 0.00 N ATOM 846 CA ASP A 56 -8.429 5.173 2.593 1.00 0.00 C ATOM 847 C ASP A 56 -8.319 5.522 1.151 1.00 0.00 C ATOM 848 O ASP A 56 -7.272 5.929 0.705 1.00 0.00 O ATOM 849 CB ASP A 56 -8.208 3.698 2.850 1.00 0.00 C ATOM 850 CG ASP A 56 -8.159 3.417 4.339 1.00 0.00 C ATOM 851 OD1 ASP A 56 -7.400 4.107 5.054 1.00 0.00 O ATOM 852 OD2 ASP A 56 -8.935 2.585 4.820 1.00 0.00 O ATOM 0 H ASP A 56 -10.347 4.845 3.273 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.632 5.704 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.010 3.119 2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.277 3.378 2.383 1.00 0.00 H new ATOM 857 N ARG A 57 -9.433 5.460 0.435 1.00 0.00 N ATOM 858 CA ARG A 57 -9.492 5.862 -0.979 1.00 0.00 C ATOM 859 C ARG A 57 -8.988 7.307 -1.179 1.00 0.00 C ATOM 860 O ARG A 57 -8.509 7.657 -2.254 1.00 0.00 O ATOM 861 CB ARG A 57 -10.921 5.730 -1.531 1.00 0.00 C ATOM 862 CG ARG A 57 -11.430 4.303 -1.697 1.00 0.00 C ATOM 863 CD ARG A 57 -10.730 3.559 -2.832 1.00 0.00 C ATOM 864 NE ARG A 57 -10.973 4.180 -4.152 1.00 0.00 N ATOM 865 CZ ARG A 57 -11.952 3.841 -5.010 1.00 0.00 C ATOM 866 NH1 ARG A 57 -12.940 3.066 -4.617 1.00 0.00 N ATOM 867 NH2 ARG A 57 -11.969 4.341 -6.241 1.00 0.00 N ATOM 0 H ARG A 57 -10.323 5.132 0.809 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.836 5.189 -1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.600 6.264 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.965 6.228 -2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.283 3.758 -0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.503 4.324 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.658 3.533 -2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.075 2.525 -2.852 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.344 4.931 -4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.966 2.719 -3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.680 2.812 -5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.237 4.986 -6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.714 4.080 -6.887 1.00 0.00 H new ATOM 881 N ALA A 58 -9.089 8.123 -0.139 1.00 0.00 N ATOM 882 CA ALA A 58 -8.617 9.497 -0.191 1.00 0.00 C ATOM 883 C ALA A 58 -7.226 9.631 0.436 1.00 0.00 C ATOM 884 O ALA A 58 -6.516 10.614 0.200 1.00 0.00 O ATOM 885 CB ALA A 58 -9.589 10.413 0.534 1.00 0.00 C ATOM 0 H ALA A 58 -9.497 7.853 0.756 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.553 9.787 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.225 11.439 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.568 10.354 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.672 10.104 1.576 1.00 0.00 H new ATOM 891 N LEU A 59 -6.832 8.652 1.216 1.00 0.00 N ATOM 892 CA LEU A 59 -5.573 8.719 1.926 1.00 0.00 C ATOM 893 C LEU A 59 -4.480 7.990 1.158 1.00 0.00 C ATOM 894 O LEU A 59 -3.536 8.614 0.661 1.00 0.00 O ATOM 895 CB LEU A 59 -5.715 8.130 3.349 1.00 0.00 C ATOM 896 CG LEU A 59 -4.582 8.454 4.364 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.261 7.882 3.999 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.502 9.933 4.666 1.00 0.00 C ATOM 0 H LEU A 59 -7.365 7.797 1.376 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.291 9.768 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.657 8.483 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.791 7.046 3.261 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.864 7.946 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.525 8.153 4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.338 6.796 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.948 8.276 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.698 10.116 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.303 10.482 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.448 10.269 5.092 1.00 0.00 H new ATOM 910 N VAL A 60 -4.614 6.668 1.045 1.00 0.00 N ATOM 911 CA VAL A 60 -3.589 5.836 0.443 1.00 0.00 C ATOM 912 C VAL A 60 -3.343 6.208 -1.016 1.00 0.00 C ATOM 913 O VAL A 60 -2.245 6.076 -1.514 1.00 0.00 O ATOM 914 CB VAL A 60 -3.867 4.300 0.612 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.234 3.899 0.140 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.833 3.490 -0.104 1.00 0.00 C ATOM 0 H VAL A 60 -5.433 6.153 1.368 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.671 6.041 0.994 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.816 4.098 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.368 2.827 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.989 4.438 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.339 4.141 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.047 2.429 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.850 3.735 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.848 3.715 0.304 1.00 0.00 H new ATOM 926 N LYS A 61 -4.346 6.796 -1.637 1.00 0.00 N ATOM 927 CA LYS A 61 -4.271 7.200 -3.043 1.00 0.00 C ATOM 928 C LYS A 61 -3.200 8.258 -3.207 1.00 0.00 C ATOM 929 O LYS A 61 -2.437 8.272 -4.172 1.00 0.00 O ATOM 930 CB LYS A 61 -5.619 7.762 -3.519 1.00 0.00 C ATOM 931 CG LYS A 61 -5.602 8.286 -4.961 1.00 0.00 C ATOM 932 CD LYS A 61 -5.340 7.173 -5.967 1.00 0.00 C ATOM 933 CE LYS A 61 -6.546 6.270 -6.113 1.00 0.00 C ATOM 934 NZ LYS A 61 -7.672 6.982 -6.739 1.00 0.00 N ATOM 0 H LYS A 61 -5.237 7.011 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.025 6.325 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.376 6.982 -3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.920 8.571 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.557 8.761 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.834 9.053 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.088 7.606 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.479 6.585 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.282 5.401 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.847 5.899 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.352 6.292 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.143 7.578 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.318 7.579 -7.513 1.00 0.00 H new ATOM 948 N LYS A 62 -3.114 9.080 -2.217 1.00 0.00 N ATOM 949 CA LYS A 62 -2.201 10.166 -2.211 1.00 0.00 C ATOM 950 C LYS A 62 -0.842 9.679 -1.792 1.00 0.00 C ATOM 951 O LYS A 62 0.165 10.106 -2.305 1.00 0.00 O ATOM 952 CB LYS A 62 -2.705 11.267 -1.280 1.00 0.00 C ATOM 953 CG LYS A 62 -1.727 12.395 -1.090 1.00 0.00 C ATOM 954 CD LYS A 62 -2.350 13.551 -0.349 1.00 0.00 C ATOM 955 CE LYS A 62 -1.361 14.674 -0.147 1.00 0.00 C ATOM 956 NZ LYS A 62 -1.954 15.787 0.615 1.00 0.00 N ATOM 0 H LYS A 62 -3.687 9.013 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.122 10.584 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.636 11.669 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.936 10.831 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.858 12.035 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.370 12.735 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.212 13.919 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.717 13.209 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.484 14.297 0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.019 15.037 -1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.247 16.541 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.776 16.162 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.258 15.445 1.549 1.00 0.00 H new ATOM 970 N LYS A 63 -0.833 8.735 -0.912 1.00 0.00 N ATOM 971 CA LYS A 63 0.393 8.231 -0.386 1.00 0.00 C ATOM 972 C LYS A 63 1.096 7.359 -1.386 1.00 0.00 C ATOM 973 O LYS A 63 2.279 7.427 -1.508 1.00 0.00 O ATOM 974 CB LYS A 63 0.174 7.445 0.874 1.00 0.00 C ATOM 975 CG LYS A 63 1.135 7.843 1.979 1.00 0.00 C ATOM 976 CD LYS A 63 0.864 9.250 2.484 1.00 0.00 C ATOM 977 CE LYS A 63 -0.496 9.358 3.174 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.686 10.693 3.780 1.00 0.00 N ATOM 0 H LYS A 63 -1.672 8.291 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 63 1.014 9.098 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.850 7.591 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.290 6.382 0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.050 7.138 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.159 7.780 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.649 9.542 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.903 9.949 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.289 9.168 2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.577 8.591 3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.617 10.736 4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.058 10.862 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.632 11.421 3.039 1.00 0.00 H new ATOM 992 N LEU A 64 0.341 6.568 -2.122 1.00 0.00 N ATOM 993 CA LEU A 64 0.904 5.613 -3.067 1.00 0.00 C ATOM 994 C LEU A 64 1.653 6.303 -4.199 1.00 0.00 C ATOM 995 O LEU A 64 2.629 5.767 -4.721 1.00 0.00 O ATOM 996 CB LEU A 64 -0.182 4.628 -3.578 1.00 0.00 C ATOM 997 CG LEU A 64 -1.254 5.152 -4.563 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.764 5.114 -6.009 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.554 4.383 -4.409 1.00 0.00 C ATOM 0 H LEU A 64 -0.678 6.566 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 64 1.648 5.019 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.328 3.793 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.701 4.227 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.443 6.196 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.546 5.490 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.125 5.737 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.520 4.088 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.291 4.770 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.378 3.327 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.927 4.499 -3.391 1.00 0.00 H new ATOM 1011 N LYS A 65 1.229 7.498 -4.549 1.00 0.00 N ATOM 1012 CA LYS A 65 1.901 8.224 -5.624 1.00 0.00 C ATOM 1013 C LYS A 65 3.236 8.785 -5.132 1.00 0.00 C ATOM 1014 O LYS A 65 4.220 8.800 -5.849 1.00 0.00 O ATOM 1015 CB LYS A 65 1.033 9.360 -6.197 1.00 0.00 C ATOM 1016 CG LYS A 65 0.681 10.433 -5.187 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.026 11.609 -5.816 1.00 0.00 C ATOM 1018 CE LYS A 65 -0.374 12.680 -4.786 1.00 0.00 C ATOM 1019 NZ LYS A 65 0.814 13.197 -4.060 1.00 0.00 N ATOM 0 H LYS A 65 0.441 7.985 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 65 2.078 7.511 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.560 9.820 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.112 8.934 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.046 10.004 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.591 10.780 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.607 12.042 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.938 11.266 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.875 13.508 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.081 12.268 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.782 14.236 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.813 12.830 -3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.680 12.887 -4.546 1.00 0.00 H new ATOM 1033 N GLU A 66 3.269 9.185 -3.884 1.00 0.00 N ATOM 1034 CA GLU A 66 4.437 9.821 -3.325 1.00 0.00 C ATOM 1035 C GLU A 66 5.247 8.844 -2.504 1.00 0.00 C ATOM 1036 O GLU A 66 6.302 9.183 -1.970 1.00 0.00 O ATOM 1037 CB GLU A 66 4.018 11.042 -2.503 1.00 0.00 C ATOM 1038 CG GLU A 66 3.057 10.748 -1.354 1.00 0.00 C ATOM 1039 CD GLU A 66 2.423 12.006 -0.832 1.00 0.00 C ATOM 1040 OE1 GLU A 66 1.646 12.652 -1.579 1.00 0.00 O ATOM 1041 OE2 GLU A 66 2.677 12.384 0.318 1.00 0.00 O ATOM 0 H GLU A 66 2.493 9.080 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 66 5.079 10.160 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.913 11.512 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.552 11.767 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.281 10.062 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.594 10.248 -0.548 1.00 0.00 H new