USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=12 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 180:sc= -0.0892 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.927 K(o=-1,f=-0.097) USER MOD Set 2.1: A 10 GLN : amide:sc= -0.755! C(o=-3.3!,f=-5.4!) USER MOD Set 2.2: A 11 GLN : amide:sc= -2.55! K(o=-3.3!,f=-5.4) USER MOD Single : A 5 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.61) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -62:sc= 1.27 USER MOD Single : A 14 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-0.18) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.845 K(o=-0.84,f=-0.22) USER MOD Single : A 24 TYR OH : rot -172:sc= 0.00166 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0339 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.733 K(o=0.73,f=-1.4) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 40 GLN : amide:sc= -3.37! C(o=-3.4!,f=-1.4!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.0061) 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 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 2:sc= 0.93 USER MOD Single : A 53 SER OG : rot -144:sc= 1.25 USER MOD Single : A 54 SER OG : rot 180:sc=0.000279 USER MOD Single : A 55 GLN : amide:sc= 1.13 K(o=1.1,f=-0.12) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -0.305 (180deg=-2.22!) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= -0.0202 (180deg=-0.25) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 10.716 -0.269 -2.427 1.00 0.00 N ATOM 45 CA VAL A 4 9.423 -0.945 -2.436 1.00 0.00 C ATOM 46 C VAL A 4 9.350 -2.064 -3.449 1.00 0.00 C ATOM 47 O VAL A 4 8.672 -3.060 -3.238 1.00 0.00 O ATOM 48 CB VAL A 4 8.248 0.040 -2.599 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.454 1.190 -1.685 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.080 0.530 -4.008 1.00 0.00 C ATOM 0 HA VAL A 4 9.326 -1.407 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 4 7.333 -0.497 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.628 1.893 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.496 0.834 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.390 1.690 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.237 1.219 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.987 1.044 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.894 -0.317 -4.668 1.00 0.00 H new ATOM 60 N HIS A 5 10.103 -1.937 -4.508 1.00 0.00 N ATOM 61 CA HIS A 5 10.140 -2.960 -5.535 1.00 0.00 C ATOM 62 C HIS A 5 10.919 -4.194 -5.043 1.00 0.00 C ATOM 63 O HIS A 5 10.964 -5.216 -5.708 1.00 0.00 O ATOM 64 CB HIS A 5 10.723 -2.406 -6.856 1.00 0.00 C ATOM 65 CG HIS A 5 12.036 -1.693 -6.718 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.134 -0.347 -6.487 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.307 -2.158 -6.746 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.406 -0.030 -6.370 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.177 -1.094 -6.525 1.00 0.00 N ATOM 0 H HIS A 5 10.705 -1.133 -4.689 1.00 0.00 H new ATOM 0 HA HIS A 5 9.117 -3.273 -5.742 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.847 -3.232 -7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.999 -1.721 -7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.598 -3.185 -6.912 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.772 0.967 -6.173 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.196 -1.128 -6.490 1.00 0.00 H new ATOM 77 N GLU A 6 11.522 -4.062 -3.870 1.00 0.00 N ATOM 78 CA GLU A 6 12.279 -5.130 -3.239 1.00 0.00 C ATOM 79 C GLU A 6 11.467 -5.720 -2.076 1.00 0.00 C ATOM 80 O GLU A 6 11.894 -6.666 -1.413 1.00 0.00 O ATOM 81 CB GLU A 6 13.606 -4.580 -2.710 1.00 0.00 C ATOM 82 CG GLU A 6 14.425 -3.850 -3.759 1.00 0.00 C ATOM 83 CD GLU A 6 15.709 -3.305 -3.214 1.00 0.00 C ATOM 84 OE1 GLU A 6 16.733 -4.013 -3.218 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.743 -2.151 -2.771 1.00 0.00 O ATOM 0 H GLU A 6 11.498 -3.200 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 6 12.480 -5.910 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.403 -3.900 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.197 -5.404 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.644 -4.531 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.834 -3.032 -4.171 1.00 0.00 H new ATOM 92 N TRP A 7 10.290 -5.150 -1.827 1.00 0.00 N ATOM 93 CA TRP A 7 9.430 -5.626 -0.758 1.00 0.00 C ATOM 94 C TRP A 7 8.700 -6.859 -1.188 1.00 0.00 C ATOM 95 O TRP A 7 8.288 -6.969 -2.347 1.00 0.00 O ATOM 96 CB TRP A 7 8.428 -4.566 -0.291 1.00 0.00 C ATOM 97 CG TRP A 7 9.052 -3.380 0.378 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.346 -3.247 0.797 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.395 -2.171 0.741 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.533 -2.020 1.354 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.354 -1.340 1.340 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.090 -1.703 0.606 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.055 -0.071 1.801 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.791 -0.440 1.067 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.772 0.365 1.660 1.00 0.00 C ATOM 0 H TRP A 7 9.915 -4.360 -2.352 1.00 0.00 H new ATOM 0 HA TRP A 7 10.078 -5.856 0.088 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.853 -4.222 -1.151 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.723 -5.029 0.400 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.109 -4.005 0.700 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.416 -1.666 1.723 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.328 -2.318 0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.811 0.552 2.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.783 -0.064 0.970 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.506 1.351 2.012 1.00 0.00 H new ATOM 116 N SER A 8 8.540 -7.780 -0.278 1.00 0.00 N ATOM 117 CA SER A 8 7.911 -9.008 -0.590 1.00 0.00 C ATOM 118 C SER A 8 6.428 -8.974 -0.217 1.00 0.00 C ATOM 119 O SER A 8 5.582 -8.699 -1.046 1.00 0.00 O ATOM 120 CB SER A 8 8.627 -10.124 0.135 1.00 0.00 C ATOM 121 OG SER A 8 10.015 -10.060 -0.099 1.00 0.00 O ATOM 0 H SER A 8 8.844 -7.690 0.691 1.00 0.00 H new ATOM 0 HA SER A 8 7.969 -9.181 -1.665 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.430 -10.055 1.205 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.241 -11.087 -0.198 1.00 0.00 H new ATOM 0 HG SER A 8 10.461 -10.789 0.380 1.00 0.00 H new ATOM 127 N VAL A 9 6.135 -9.209 1.048 1.00 0.00 N ATOM 128 CA VAL A 9 4.773 -9.242 1.538 1.00 0.00 C ATOM 129 C VAL A 9 4.731 -8.556 2.893 1.00 0.00 C ATOM 130 O VAL A 9 4.071 -7.557 3.074 1.00 0.00 O ATOM 131 CB VAL A 9 4.254 -10.710 1.691 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.865 -10.720 2.262 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.256 -11.456 0.364 1.00 0.00 C ATOM 0 H VAL A 9 6.838 -9.383 1.766 1.00 0.00 H new ATOM 0 HA VAL A 9 4.132 -8.730 0.820 1.00 0.00 H new ATOM 0 HB VAL A 9 4.937 -11.219 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.520 -11.749 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.871 -10.243 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.194 -10.175 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.888 -12.471 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.610 -10.939 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.271 -11.493 -0.031 1.00 0.00 H new ATOM 143 N GLN A 10 5.505 -9.072 3.823 1.00 0.00 N ATOM 144 CA GLN A 10 5.582 -8.526 5.179 1.00 0.00 C ATOM 145 C GLN A 10 6.127 -7.100 5.174 1.00 0.00 C ATOM 146 O GLN A 10 5.748 -6.269 5.984 1.00 0.00 O ATOM 147 CB GLN A 10 6.434 -9.436 6.110 1.00 0.00 C ATOM 148 CG GLN A 10 7.931 -9.618 5.734 1.00 0.00 C ATOM 149 CD GLN A 10 8.176 -10.282 4.377 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.379 -11.082 3.900 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.247 -9.930 3.733 1.00 0.00 N ATOM 0 H GLN A 10 6.103 -9.884 3.669 1.00 0.00 H new ATOM 0 HA GLN A 10 4.566 -8.498 5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.385 -9.029 7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.969 -10.421 6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.413 -8.640 5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.415 -10.214 6.507 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.896 -9.263 4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.439 -10.321 2.811 1.00 0.00 H new ATOM 160 N GLN A 11 6.957 -6.818 4.196 1.00 0.00 N ATOM 161 CA GLN A 11 7.625 -5.540 4.071 1.00 0.00 C ATOM 162 C GLN A 11 6.696 -4.431 3.561 1.00 0.00 C ATOM 163 O GLN A 11 6.991 -3.262 3.715 1.00 0.00 O ATOM 164 CB GLN A 11 8.859 -5.712 3.194 1.00 0.00 C ATOM 165 CG GLN A 11 9.917 -6.587 3.861 1.00 0.00 C ATOM 166 CD GLN A 11 10.943 -7.192 2.919 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.453 -8.265 3.184 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.229 -6.553 1.843 1.00 0.00 N ATOM 0 H GLN A 11 7.191 -7.478 3.454 1.00 0.00 H new ATOM 0 HA GLN A 11 7.935 -5.211 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.568 -6.157 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.285 -4.734 2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.441 -5.991 4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.415 -7.395 4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.784 -5.656 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.901 -6.943 1.182 1.00 0.00 H new ATOM 177 N VAL A 12 5.553 -4.809 3.009 1.00 0.00 N ATOM 178 CA VAL A 12 4.599 -3.828 2.478 1.00 0.00 C ATOM 179 C VAL A 12 3.758 -3.233 3.637 1.00 0.00 C ATOM 180 O VAL A 12 3.185 -2.143 3.521 1.00 0.00 O ATOM 181 CB VAL A 12 3.653 -4.501 1.416 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.469 -5.230 2.026 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.211 -3.518 0.366 1.00 0.00 C ATOM 0 H VAL A 12 5.258 -5.781 2.914 1.00 0.00 H new ATOM 0 HA VAL A 12 5.154 -3.027 1.990 1.00 0.00 H new ATOM 0 HB VAL A 12 4.256 -5.269 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.863 -5.668 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.829 -6.020 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.864 -4.527 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.559 -4.019 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.669 -2.699 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.084 -3.123 -0.153 1.00 0.00 H new ATOM 193 N SER A 13 3.749 -3.935 4.776 1.00 0.00 N ATOM 194 CA SER A 13 2.910 -3.552 5.896 1.00 0.00 C ATOM 195 C SER A 13 3.448 -2.330 6.595 1.00 0.00 C ATOM 196 O SER A 13 2.689 -1.457 7.008 1.00 0.00 O ATOM 197 CB SER A 13 2.769 -4.701 6.881 1.00 0.00 C ATOM 198 OG SER A 13 3.993 -4.996 7.548 1.00 0.00 O ATOM 0 H SER A 13 4.315 -4.768 4.937 1.00 0.00 H new ATOM 0 HA SER A 13 1.925 -3.308 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.007 -4.452 7.619 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.423 -5.589 6.352 1.00 0.00 H new ATOM 0 HG SER A 13 4.662 -5.284 6.892 1.00 0.00 H new ATOM 204 N HIS A 14 4.767 -2.291 6.711 1.00 0.00 N ATOM 205 CA HIS A 14 5.501 -1.181 7.362 1.00 0.00 C ATOM 206 C HIS A 14 5.061 0.155 6.805 1.00 0.00 C ATOM 207 O HIS A 14 4.868 1.113 7.550 1.00 0.00 O ATOM 208 CB HIS A 14 7.023 -1.317 7.196 1.00 0.00 C ATOM 209 CG HIS A 14 7.603 -2.595 7.720 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.575 -2.977 9.042 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.219 -3.598 7.056 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.154 -4.173 9.140 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.568 -4.601 7.958 1.00 0.00 N ATOM 0 H HIS A 14 5.376 -3.029 6.357 1.00 0.00 H new ATOM 0 HA HIS A 14 5.264 -1.234 8.425 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.267 -1.231 6.137 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.505 -0.481 7.703 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.411 -3.619 5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.270 -4.721 10.063 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.043 -5.480 7.751 1.00 0.00 H new ATOM 221 N TRP A 15 4.876 0.192 5.496 1.00 0.00 N ATOM 222 CA TRP A 15 4.391 1.364 4.833 1.00 0.00 C ATOM 223 C TRP A 15 2.968 1.657 5.272 1.00 0.00 C ATOM 224 O TRP A 15 2.713 2.700 5.843 1.00 0.00 O ATOM 225 CB TRP A 15 4.482 1.205 3.310 1.00 0.00 C ATOM 226 CG TRP A 15 3.681 2.216 2.552 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.898 3.560 2.468 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.515 1.945 1.772 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.924 4.138 1.693 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.067 3.161 1.247 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.809 0.783 1.469 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.940 3.246 0.436 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.698 0.879 0.663 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.281 2.091 0.163 1.00 0.00 C ATOM 0 H TRP A 15 5.061 -0.595 4.874 1.00 0.00 H new ATOM 0 HA TRP A 15 5.017 2.211 5.112 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.526 1.281 3.007 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.142 0.206 3.037 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.713 4.089 2.940 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.848 5.133 1.482 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.127 -0.173 1.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.603 4.192 0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.143 -0.014 0.418 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.597 2.125 -0.465 1.00 0.00 H new ATOM 245 N LEU A 16 2.068 0.692 5.048 1.00 0.00 N ATOM 246 CA LEU A 16 0.635 0.810 5.375 1.00 0.00 C ATOM 247 C LEU A 16 0.408 1.319 6.796 1.00 0.00 C ATOM 248 O LEU A 16 -0.334 2.272 7.010 1.00 0.00 O ATOM 249 CB LEU A 16 -0.038 -0.545 5.202 1.00 0.00 C ATOM 250 CG LEU A 16 -0.149 -1.075 3.766 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.388 -2.560 3.765 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.298 -0.402 3.041 1.00 0.00 C ATOM 0 H LEU A 16 2.314 -0.205 4.630 1.00 0.00 H new ATOM 0 HA LEU A 16 0.198 1.539 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.511 -1.277 5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.042 -0.484 5.622 1.00 0.00 H new ATOM 0 HG LEU A 16 0.790 -0.855 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.464 -2.916 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.441 -3.062 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.315 -2.780 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.363 -0.789 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.230 -0.607 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.128 0.674 3.009 1.00 0.00 H new ATOM 264 N VAL A 17 1.092 0.729 7.746 1.00 0.00 N ATOM 265 CA VAL A 17 0.955 1.083 9.154 1.00 0.00 C ATOM 266 C VAL A 17 1.457 2.537 9.421 1.00 0.00 C ATOM 267 O VAL A 17 1.117 3.151 10.433 1.00 0.00 O ATOM 268 CB VAL A 17 1.728 0.058 10.037 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.625 0.363 11.521 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.264 -1.367 9.769 1.00 0.00 C ATOM 0 H VAL A 17 1.766 -0.016 7.572 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.102 1.047 9.418 1.00 0.00 H new ATOM 0 HB VAL A 17 2.776 0.151 9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.183 -0.384 12.086 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.040 1.351 11.719 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.579 0.341 11.825 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.823 -2.057 10.401 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.200 -1.451 9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.436 -1.615 8.721 1.00 0.00 H new ATOM 280 N GLY A 18 2.210 3.086 8.480 1.00 0.00 N ATOM 281 CA GLY A 18 2.745 4.420 8.618 1.00 0.00 C ATOM 282 C GLY A 18 1.770 5.482 8.154 1.00 0.00 C ATOM 283 O GLY A 18 1.886 6.642 8.531 1.00 0.00 O ATOM 0 H GLY A 18 2.462 2.619 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.004 4.599 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.667 4.500 8.042 1.00 0.00 H new ATOM 287 N LEU A 19 0.812 5.104 7.323 1.00 0.00 N ATOM 288 CA LEU A 19 -0.189 6.059 6.870 1.00 0.00 C ATOM 289 C LEU A 19 -1.569 5.726 7.419 1.00 0.00 C ATOM 290 O LEU A 19 -2.559 6.173 6.879 1.00 0.00 O ATOM 291 CB LEU A 19 -0.264 6.187 5.327 1.00 0.00 C ATOM 292 CG LEU A 19 -0.577 4.935 4.518 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.170 5.309 3.191 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.658 4.157 4.265 1.00 0.00 C ATOM 0 H LEU A 19 0.706 4.159 6.953 1.00 0.00 H new ATOM 0 HA LEU A 19 0.136 7.022 7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.021 6.935 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.691 6.579 4.978 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.284 4.336 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.389 4.405 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.091 5.870 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.461 5.924 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.415 3.266 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.366 4.770 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.103 3.862 5.215 1.00 0.00 H new ATOM 306 N SER A 20 -1.612 4.966 8.520 1.00 0.00 N ATOM 307 CA SER A 20 -2.877 4.537 9.176 1.00 0.00 C ATOM 308 C SER A 20 -3.651 3.534 8.315 1.00 0.00 C ATOM 309 O SER A 20 -4.830 3.305 8.509 1.00 0.00 O ATOM 310 CB SER A 20 -3.748 5.756 9.531 1.00 0.00 C ATOM 311 OG SER A 20 -2.973 6.743 10.212 1.00 0.00 O ATOM 0 H SER A 20 -0.774 4.624 8.991 1.00 0.00 H new ATOM 0 HA SER A 20 -2.612 4.027 10.102 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.174 6.183 8.623 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.583 5.444 10.159 1.00 0.00 H new ATOM 0 HG SER A 20 -3.540 7.512 10.429 1.00 0.00 H new ATOM 317 N LEU A 21 -2.941 2.887 7.439 1.00 0.00 N ATOM 318 CA LEU A 21 -3.490 1.908 6.512 1.00 0.00 C ATOM 319 C LEU A 21 -3.169 0.494 6.976 1.00 0.00 C ATOM 320 O LEU A 21 -3.262 -0.453 6.208 1.00 0.00 O ATOM 321 CB LEU A 21 -2.920 2.138 5.108 1.00 0.00 C ATOM 322 CG LEU A 21 -3.654 3.098 4.145 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.799 2.403 3.493 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.155 4.354 4.841 1.00 0.00 C ATOM 0 H LEU A 21 -1.935 3.020 7.337 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.573 2.028 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.900 2.506 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.855 1.167 4.617 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.926 3.404 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.306 3.092 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.431 1.546 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.499 2.061 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.663 4.993 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.851 4.078 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.311 4.893 5.271 1.00 0.00 H new ATOM 336 N ASP A 22 -2.806 0.356 8.249 1.00 0.00 N ATOM 337 CA ASP A 22 -2.539 -0.961 8.888 1.00 0.00 C ATOM 338 C ASP A 22 -3.733 -1.912 8.726 1.00 0.00 C ATOM 339 O ASP A 22 -3.578 -3.129 8.686 1.00 0.00 O ATOM 340 CB ASP A 22 -2.230 -0.782 10.377 1.00 0.00 C ATOM 341 CG ASP A 22 -3.383 -0.196 11.150 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.730 0.975 10.913 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.948 -0.885 12.009 1.00 0.00 O ATOM 0 H ASP A 22 -2.684 1.147 8.881 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.675 -1.398 8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.965 -1.748 10.806 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.360 -0.135 10.487 1.00 0.00 H new ATOM 348 N GLN A 23 -4.898 -1.329 8.595 1.00 0.00 N ATOM 349 CA GLN A 23 -6.158 -2.034 8.369 1.00 0.00 C ATOM 350 C GLN A 23 -6.160 -2.757 7.005 1.00 0.00 C ATOM 351 O GLN A 23 -6.895 -3.713 6.790 1.00 0.00 O ATOM 352 CB GLN A 23 -7.281 -1.006 8.436 1.00 0.00 C ATOM 353 CG GLN A 23 -7.142 0.096 7.415 1.00 0.00 C ATOM 354 CD GLN A 23 -7.820 1.353 7.828 1.00 0.00 C ATOM 355 OE1 GLN A 23 -8.832 1.351 8.528 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.243 2.428 7.439 1.00 0.00 N ATOM 0 H GLN A 23 -5.011 -0.316 8.643 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.296 -2.801 9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.236 -1.511 8.288 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.304 -0.567 9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.084 0.298 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.558 -0.240 6.465 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.405 2.376 6.859 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.621 3.336 7.709 1.00 0.00 H new ATOM 365 N TYR A 24 -5.312 -2.305 6.109 1.00 0.00 N ATOM 366 CA TYR A 24 -5.221 -2.873 4.789 1.00 0.00 C ATOM 367 C TYR A 24 -4.220 -4.013 4.734 1.00 0.00 C ATOM 368 O TYR A 24 -4.304 -4.855 3.847 1.00 0.00 O ATOM 369 CB TYR A 24 -4.886 -1.800 3.744 1.00 0.00 C ATOM 370 CG TYR A 24 -6.087 -1.266 2.963 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.919 -0.257 3.452 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.370 -1.783 1.714 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.993 0.200 2.699 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.431 -1.329 0.965 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.237 -0.346 1.449 1.00 0.00 C ATOM 376 OH TYR A 24 -9.312 0.087 0.679 1.00 0.00 O ATOM 0 H TYR A 24 -4.667 -1.533 6.278 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.201 -3.285 4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.397 -0.965 4.246 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.166 -2.214 3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.726 0.172 4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.741 -2.565 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.635 0.977 3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.624 -1.754 -0.009 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.408 -0.494 -0.105 1.00 0.00 H new ATOM 386 N VAL A 25 -3.299 -4.055 5.701 1.00 0.00 N ATOM 387 CA VAL A 25 -2.253 -5.109 5.759 1.00 0.00 C ATOM 388 C VAL A 25 -2.866 -6.507 5.764 1.00 0.00 C ATOM 389 O VAL A 25 -2.365 -7.415 5.085 1.00 0.00 O ATOM 390 CB VAL A 25 -1.293 -4.973 6.989 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.243 -6.055 6.963 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.654 -3.604 7.032 1.00 0.00 C ATOM 0 H VAL A 25 -3.247 -3.376 6.460 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.660 -4.965 4.856 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.886 -5.092 7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.415 -5.944 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.726 -7.032 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.342 -5.972 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.007 -3.538 7.896 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.078 -3.443 6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.430 -2.843 7.110 1.00 0.00 H new ATOM 402 N SER A 26 -3.981 -6.638 6.465 1.00 0.00 N ATOM 403 CA SER A 26 -4.696 -7.890 6.617 1.00 0.00 C ATOM 404 C SER A 26 -4.957 -8.554 5.252 1.00 0.00 C ATOM 405 O SER A 26 -4.759 -9.766 5.081 1.00 0.00 O ATOM 406 CB SER A 26 -6.013 -7.582 7.308 1.00 0.00 C ATOM 407 OG SER A 26 -5.788 -6.758 8.452 1.00 0.00 O ATOM 0 H SER A 26 -4.422 -5.859 6.954 1.00 0.00 H new ATOM 0 HA SER A 26 -4.100 -8.587 7.205 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.687 -7.078 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.500 -8.510 7.609 1.00 0.00 H new ATOM 0 HG SER A 26 -6.644 -6.564 8.889 1.00 0.00 H new ATOM 413 N GLU A 27 -5.317 -7.748 4.281 1.00 0.00 N ATOM 414 CA GLU A 27 -5.635 -8.239 2.972 1.00 0.00 C ATOM 415 C GLU A 27 -4.427 -8.058 2.024 1.00 0.00 C ATOM 416 O GLU A 27 -4.171 -8.906 1.182 1.00 0.00 O ATOM 417 CB GLU A 27 -6.872 -7.518 2.463 1.00 0.00 C ATOM 418 CG GLU A 27 -7.435 -8.032 1.156 1.00 0.00 C ATOM 419 CD GLU A 27 -7.938 -9.442 1.213 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.880 -9.727 1.967 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.446 -10.275 0.437 1.00 0.00 O ATOM 0 H GLU A 27 -5.396 -6.736 4.381 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.851 -9.307 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.649 -7.585 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.632 -6.461 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.251 -7.380 0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.663 -7.965 0.390 1.00 0.00 H new ATOM 428 N PHE A 28 -3.655 -6.967 2.206 1.00 0.00 N ATOM 429 CA PHE A 28 -2.447 -6.698 1.390 1.00 0.00 C ATOM 430 C PHE A 28 -1.495 -7.880 1.425 1.00 0.00 C ATOM 431 O PHE A 28 -1.069 -8.394 0.382 1.00 0.00 O ATOM 432 CB PHE A 28 -1.711 -5.443 1.889 1.00 0.00 C ATOM 433 CG PHE A 28 -1.911 -4.198 1.054 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.137 -3.570 0.986 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.849 -3.651 0.343 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.303 -2.424 0.224 1.00 0.00 C ATOM 437 CE2 PHE A 28 -1.014 -2.508 -0.412 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.243 -1.897 -0.471 1.00 0.00 C ATOM 0 H PHE A 28 -3.845 -6.255 2.911 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.779 -6.533 0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.037 -5.233 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.644 -5.662 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.976 -3.975 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.119 -4.128 0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.269 -1.944 0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.178 -2.094 -0.956 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.375 -1.004 -1.063 1.00 0.00 H new ATOM 448 N SER A 29 -1.239 -8.364 2.613 1.00 0.00 N ATOM 449 CA SER A 29 -0.331 -9.452 2.808 1.00 0.00 C ATOM 450 C SER A 29 -0.979 -10.800 2.445 1.00 0.00 C ATOM 451 O SER A 29 -0.297 -11.808 2.293 1.00 0.00 O ATOM 452 CB SER A 29 0.190 -9.428 4.243 1.00 0.00 C ATOM 453 OG SER A 29 0.822 -8.175 4.510 1.00 0.00 O ATOM 0 H SER A 29 -1.659 -8.009 3.472 1.00 0.00 H new ATOM 0 HA SER A 29 0.517 -9.334 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.633 -9.586 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.898 -10.242 4.396 1.00 0.00 H new ATOM 0 HG SER A 29 1.152 -8.165 5.433 1.00 0.00 H new ATOM 459 N ALA A 30 -2.282 -10.794 2.245 1.00 0.00 N ATOM 460 CA ALA A 30 -3.000 -12.001 1.893 1.00 0.00 C ATOM 461 C ALA A 30 -2.928 -12.242 0.396 1.00 0.00 C ATOM 462 O ALA A 30 -2.959 -13.386 -0.063 1.00 0.00 O ATOM 463 CB ALA A 30 -4.445 -11.924 2.353 1.00 0.00 C ATOM 0 H ALA A 30 -2.867 -9.962 2.321 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.527 -12.841 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.964 -12.842 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.476 -11.801 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.934 -11.074 1.877 1.00 0.00 H new ATOM 469 N GLN A 31 -2.826 -11.161 -0.375 1.00 0.00 N ATOM 470 CA GLN A 31 -2.722 -11.303 -1.838 1.00 0.00 C ATOM 471 C GLN A 31 -1.276 -11.195 -2.263 1.00 0.00 C ATOM 472 O GLN A 31 -0.968 -11.245 -3.447 1.00 0.00 O ATOM 473 CB GLN A 31 -3.550 -10.260 -2.603 1.00 0.00 C ATOM 474 CG GLN A 31 -4.621 -9.595 -1.789 1.00 0.00 C ATOM 475 CD GLN A 31 -5.605 -8.798 -2.616 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.269 -8.263 -3.677 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.818 -8.709 -2.140 1.00 0.00 N ATOM 0 H GLN A 31 -2.813 -10.201 -0.031 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.125 -12.285 -2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.878 -9.494 -2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.013 -10.743 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.164 -10.356 -1.228 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.153 -8.934 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.055 -9.166 -1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.528 -8.183 -2.649 1.00 0.00 H new ATOM 486 N ASN A 32 -0.392 -11.050 -1.269 1.00 0.00 N ATOM 487 CA ASN A 32 1.054 -10.934 -1.470 1.00 0.00 C ATOM 488 C ASN A 32 1.394 -9.657 -2.208 1.00 0.00 C ATOM 489 O ASN A 32 2.390 -9.605 -2.940 1.00 0.00 O ATOM 490 CB ASN A 32 1.649 -12.150 -2.216 1.00 0.00 C ATOM 491 CG ASN A 32 1.331 -13.478 -1.564 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.009 -13.905 -0.629 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.350 -14.167 -2.083 1.00 0.00 N ATOM 0 H ASN A 32 -0.667 -11.010 -0.288 1.00 0.00 H new ATOM 0 HA ASN A 32 1.504 -10.908 -0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.272 -12.158 -3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.731 -12.034 -2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.124 -15.091 -1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.190 -13.781 -2.857 1.00 0.00 H new ATOM 500 N ILE A 33 0.596 -8.615 -1.971 1.00 0.00 N ATOM 501 CA ILE A 33 0.798 -7.335 -2.613 1.00 0.00 C ATOM 502 C ILE A 33 2.158 -6.760 -2.199 1.00 0.00 C ATOM 503 O ILE A 33 2.383 -6.474 -1.030 1.00 0.00 O ATOM 504 CB ILE A 33 -0.330 -6.310 -2.251 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.712 -6.824 -2.703 1.00 0.00 C ATOM 506 CG2 ILE A 33 -0.049 -4.930 -2.866 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.841 -7.050 -4.207 1.00 0.00 C ATOM 0 H ILE A 33 -0.199 -8.643 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 33 0.767 -7.499 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.338 -6.205 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.924 -7.761 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.472 -6.109 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.850 -4.242 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.900 -4.549 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.003 -5.019 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.844 -7.411 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.664 -6.111 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.107 -7.789 -4.528 1.00 0.00 H new ATOM 519 N SER A 34 3.064 -6.662 -3.136 1.00 0.00 N ATOM 520 CA SER A 34 4.355 -6.127 -2.870 1.00 0.00 C ATOM 521 C SER A 34 4.404 -4.681 -3.336 1.00 0.00 C ATOM 522 O SER A 34 3.387 -4.128 -3.790 1.00 0.00 O ATOM 523 CB SER A 34 5.379 -6.939 -3.637 1.00 0.00 C ATOM 524 OG SER A 34 5.079 -6.913 -5.031 1.00 0.00 O ATOM 0 H SER A 34 2.919 -6.954 -4.103 1.00 0.00 H new ATOM 0 HA SER A 34 4.568 -6.169 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.377 -6.537 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.383 -7.968 -3.277 1.00 0.00 H new ATOM 0 HG SER A 34 5.747 -7.439 -5.519 1.00 0.00 H new ATOM 530 N GLY A 35 5.595 -4.096 -3.303 1.00 0.00 N ATOM 531 CA GLY A 35 5.786 -2.742 -3.750 1.00 0.00 C ATOM 532 C GLY A 35 5.526 -2.606 -5.231 1.00 0.00 C ATOM 533 O GLY A 35 5.168 -1.536 -5.707 1.00 0.00 O ATOM 0 H GLY A 35 6.443 -4.552 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.118 -2.079 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.805 -2.425 -3.528 1.00 0.00 H new ATOM 537 N GLU A 36 5.646 -3.717 -5.934 1.00 0.00 N ATOM 538 CA GLU A 36 5.419 -3.791 -7.360 1.00 0.00 C ATOM 539 C GLU A 36 3.968 -3.434 -7.675 1.00 0.00 C ATOM 540 O GLU A 36 3.673 -2.731 -8.640 1.00 0.00 O ATOM 541 CB GLU A 36 5.708 -5.207 -7.822 1.00 0.00 C ATOM 542 CG GLU A 36 5.525 -5.428 -9.304 1.00 0.00 C ATOM 543 CD GLU A 36 5.870 -6.824 -9.706 1.00 0.00 C ATOM 544 OE1 GLU A 36 5.157 -7.771 -9.306 1.00 0.00 O ATOM 545 OE2 GLU A 36 6.867 -7.009 -10.418 1.00 0.00 O ATOM 0 H GLU A 36 5.910 -4.610 -5.518 1.00 0.00 H new ATOM 0 HA GLU A 36 6.073 -3.088 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.733 -5.462 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.056 -5.893 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.491 -5.216 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.151 -4.726 -9.856 1.00 0.00 H new ATOM 552 N GLN A 37 3.073 -3.916 -6.843 1.00 0.00 N ATOM 553 CA GLN A 37 1.660 -3.649 -7.022 1.00 0.00 C ATOM 554 C GLN A 37 1.236 -2.432 -6.230 1.00 0.00 C ATOM 555 O GLN A 37 0.207 -1.850 -6.504 1.00 0.00 O ATOM 556 CB GLN A 37 0.757 -4.877 -6.710 1.00 0.00 C ATOM 557 CG GLN A 37 1.413 -5.981 -5.909 1.00 0.00 C ATOM 558 CD GLN A 37 2.185 -7.007 -6.736 1.00 0.00 C ATOM 559 OE1 GLN A 37 2.330 -8.135 -6.315 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.604 -6.658 -7.922 1.00 0.00 N ATOM 0 H GLN A 37 3.297 -4.496 -6.034 1.00 0.00 H new ATOM 0 HA GLN A 37 1.517 -3.438 -8.082 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.122 -4.531 -6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.405 -5.296 -7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.095 -5.530 -5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.644 -6.501 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.468 -5.702 -8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.067 -7.342 -8.521 1.00 0.00 H new ATOM 569 N LEU A 38 2.066 -2.062 -5.281 1.00 0.00 N ATOM 570 CA LEU A 38 1.864 -0.913 -4.406 1.00 0.00 C ATOM 571 C LEU A 38 2.004 0.382 -5.229 1.00 0.00 C ATOM 572 O LEU A 38 1.137 1.237 -5.211 1.00 0.00 O ATOM 573 CB LEU A 38 2.952 -0.975 -3.315 1.00 0.00 C ATOM 574 CG LEU A 38 2.792 -0.177 -2.010 1.00 0.00 C ATOM 575 CD1 LEU A 38 3.989 -0.422 -1.130 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.679 1.293 -2.246 1.00 0.00 C ATOM 0 H LEU A 38 2.931 -2.565 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 38 0.872 -0.926 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.072 -2.023 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.888 -0.657 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 38 1.870 -0.516 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.881 0.142 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.061 -1.485 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.893 -0.100 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.568 1.807 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.577 1.651 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.809 1.495 -2.870 1.00 0.00 H new ATOM 588 N LEU A 39 3.101 0.487 -5.962 1.00 0.00 N ATOM 589 CA LEU A 39 3.406 1.671 -6.775 1.00 0.00 C ATOM 590 C LEU A 39 2.322 1.945 -7.798 1.00 0.00 C ATOM 591 O LEU A 39 1.962 3.085 -8.054 1.00 0.00 O ATOM 592 CB LEU A 39 4.725 1.460 -7.505 1.00 0.00 C ATOM 593 CG LEU A 39 5.972 1.372 -6.642 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.129 0.802 -7.454 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.325 2.753 -6.095 1.00 0.00 C ATOM 0 H LEU A 39 3.811 -0.243 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 39 3.469 2.526 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.649 0.542 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.857 2.278 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 39 5.780 0.706 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.019 0.743 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.868 -0.195 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.329 1.450 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.220 2.682 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.510 3.436 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.498 3.128 -5.493 1.00 0.00 H new ATOM 607 N GLN A 40 1.807 0.897 -8.367 1.00 0.00 N ATOM 608 CA GLN A 40 0.814 1.024 -9.416 1.00 0.00 C ATOM 609 C GLN A 40 -0.627 0.863 -8.894 1.00 0.00 C ATOM 610 O GLN A 40 -1.560 0.718 -9.684 1.00 0.00 O ATOM 611 CB GLN A 40 1.150 0.064 -10.583 1.00 0.00 C ATOM 612 CG GLN A 40 1.106 -1.423 -10.251 1.00 0.00 C ATOM 613 CD GLN A 40 -0.261 -2.039 -10.446 1.00 0.00 C ATOM 614 OE1 GLN A 40 -1.021 -1.634 -11.312 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.597 -2.983 -9.638 1.00 0.00 N ATOM 0 H GLN A 40 2.053 -0.064 -8.128 1.00 0.00 H new ATOM 0 HA GLN A 40 0.856 2.042 -9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.453 0.256 -11.399 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.147 0.306 -10.952 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.827 -1.949 -10.877 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.417 -1.567 -9.216 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.059 -3.301 -8.924 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.519 -3.413 -9.711 1.00 0.00 H new ATOM 624 N LEU A 41 -0.800 0.918 -7.569 1.00 0.00 N ATOM 625 CA LEU A 41 -2.115 0.835 -6.948 1.00 0.00 C ATOM 626 C LEU A 41 -3.081 1.867 -7.505 1.00 0.00 C ATOM 627 O LEU A 41 -2.727 3.025 -7.749 1.00 0.00 O ATOM 628 CB LEU A 41 -2.030 1.012 -5.452 1.00 0.00 C ATOM 629 CG LEU A 41 -1.611 -0.183 -4.633 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.401 0.257 -3.229 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.670 -1.271 -4.672 1.00 0.00 C ATOM 0 H LEU A 41 -0.033 1.021 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.492 -0.161 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.330 1.822 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.007 1.338 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.691 -0.594 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.097 -0.596 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.622 1.019 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.329 0.671 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.341 -2.120 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.605 -0.883 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.824 -1.592 -5.702 1.00 0.00 H new ATOM 643 N ASP A 42 -4.276 1.439 -7.698 1.00 0.00 N ATOM 644 CA ASP A 42 -5.337 2.250 -8.217 1.00 0.00 C ATOM 645 C ASP A 42 -6.570 1.890 -7.427 1.00 0.00 C ATOM 646 O ASP A 42 -6.515 0.914 -6.651 1.00 0.00 O ATOM 647 CB ASP A 42 -5.518 1.945 -9.725 1.00 0.00 C ATOM 648 CG ASP A 42 -6.727 2.597 -10.347 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.733 3.831 -10.542 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.702 1.881 -10.631 1.00 0.00 O ATOM 0 H ASP A 42 -4.561 0.481 -7.494 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.131 3.316 -8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.627 2.273 -10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.592 0.866 -9.860 1.00 0.00 H new ATOM 655 N GLY A 43 -7.659 2.643 -7.587 1.00 0.00 N ATOM 656 CA GLY A 43 -8.898 2.346 -6.906 1.00 0.00 C ATOM 657 C GLY A 43 -9.322 0.930 -7.149 1.00 0.00 C ATOM 658 O GLY A 43 -9.769 0.275 -6.234 1.00 0.00 O ATOM 0 H GLY A 43 -7.697 3.466 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.777 2.514 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.677 3.026 -7.250 1.00 0.00 H new ATOM 662 N ASN A 44 -9.093 0.447 -8.380 1.00 0.00 N ATOM 663 CA ASN A 44 -9.411 -0.937 -8.794 1.00 0.00 C ATOM 664 C ASN A 44 -8.864 -1.921 -7.795 1.00 0.00 C ATOM 665 O ASN A 44 -9.574 -2.809 -7.302 1.00 0.00 O ATOM 666 CB ASN A 44 -8.736 -1.251 -10.126 1.00 0.00 C ATOM 667 CG ASN A 44 -9.205 -2.561 -10.738 1.00 0.00 C ATOM 668 OD1 ASN A 44 -8.609 -3.618 -10.510 1.00 0.00 O ATOM 669 ND2 ASN A 44 -10.269 -2.512 -11.490 1.00 0.00 N ATOM 0 H ASN A 44 -8.679 1.007 -9.125 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.495 -1.018 -8.869 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.932 -0.439 -10.826 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.657 -1.291 -9.979 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.635 -3.365 -11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.735 -1.620 -11.656 1.00 0.00 H new ATOM 676 N LYS A 45 -7.600 -1.737 -7.480 1.00 0.00 N ATOM 677 CA LYS A 45 -6.907 -2.605 -6.593 1.00 0.00 C ATOM 678 C LYS A 45 -7.392 -2.415 -5.176 1.00 0.00 C ATOM 679 O LYS A 45 -7.679 -3.366 -4.513 1.00 0.00 O ATOM 680 CB LYS A 45 -5.405 -2.393 -6.683 1.00 0.00 C ATOM 681 CG LYS A 45 -4.871 -2.372 -8.112 1.00 0.00 C ATOM 682 CD LYS A 45 -3.428 -2.865 -8.196 1.00 0.00 C ATOM 683 CE LYS A 45 -3.242 -4.310 -7.695 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.964 -5.314 -8.508 1.00 0.00 N ATOM 0 H LYS A 45 -7.033 -0.971 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.118 -3.632 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.150 -1.452 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.902 -3.185 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.504 -2.996 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.930 -1.357 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.090 -2.801 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.791 -2.201 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.179 -4.552 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.585 -4.375 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.796 -6.263 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.983 -5.107 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.621 -5.278 -9.489 1.00 0.00 H new ATOM 698 N LEU A 46 -7.559 -1.169 -4.758 1.00 0.00 N ATOM 699 CA LEU A 46 -8.018 -0.838 -3.389 1.00 0.00 C ATOM 700 C LEU A 46 -9.397 -1.433 -3.112 1.00 0.00 C ATOM 701 O LEU A 46 -9.758 -1.738 -1.949 1.00 0.00 O ATOM 702 CB LEU A 46 -8.064 0.675 -3.213 1.00 0.00 C ATOM 703 CG LEU A 46 -6.735 1.412 -3.428 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.912 2.914 -3.269 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.658 0.888 -2.484 1.00 0.00 C ATOM 0 H LEU A 46 -7.385 -0.352 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.312 -1.268 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.799 1.081 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.421 0.894 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.408 1.218 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.955 3.412 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.634 3.275 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.274 3.133 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.727 1.428 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.976 1.036 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.500 -0.175 -2.666 1.00 0.00 H new ATOM 717 N LYS A 47 -10.161 -1.587 -4.169 1.00 0.00 N ATOM 718 CA LYS A 47 -11.456 -2.192 -4.101 1.00 0.00 C ATOM 719 C LYS A 47 -11.318 -3.718 -4.038 1.00 0.00 C ATOM 720 O LYS A 47 -12.082 -4.393 -3.354 1.00 0.00 O ATOM 721 CB LYS A 47 -12.308 -1.753 -5.296 1.00 0.00 C ATOM 722 CG LYS A 47 -12.565 -0.250 -5.337 1.00 0.00 C ATOM 723 CD LYS A 47 -13.029 0.231 -6.715 1.00 0.00 C ATOM 724 CE LYS A 47 -14.395 -0.313 -7.108 1.00 0.00 C ATOM 725 NZ LYS A 47 -14.776 0.103 -8.478 1.00 0.00 N ATOM 0 H LYS A 47 -9.891 -1.290 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.962 -1.862 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.810 -2.054 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.263 -2.277 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.320 0.006 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.653 0.278 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.063 1.320 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.296 -0.069 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.385 -1.401 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.145 0.038 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.712 -0.286 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.810 1.141 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.074 -0.254 -9.157 1.00 0.00 H new ATOM 739 N ALA A 48 -10.297 -4.238 -4.697 1.00 0.00 N ATOM 740 CA ALA A 48 -10.021 -5.678 -4.741 1.00 0.00 C ATOM 741 C ALA A 48 -9.381 -6.168 -3.441 1.00 0.00 C ATOM 742 O ALA A 48 -9.127 -7.360 -3.269 1.00 0.00 O ATOM 743 CB ALA A 48 -9.135 -6.023 -5.926 1.00 0.00 C ATOM 0 H ALA A 48 -9.627 -3.676 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.977 -6.188 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.944 -7.096 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.635 -5.733 -6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.189 -5.487 -5.842 1.00 0.00 H new ATOM 749 N LEU A 49 -9.090 -5.243 -2.552 1.00 0.00 N ATOM 750 CA LEU A 49 -8.618 -5.565 -1.227 1.00 0.00 C ATOM 751 C LEU A 49 -9.826 -5.767 -0.307 1.00 0.00 C ATOM 752 O LEU A 49 -9.685 -6.003 0.881 1.00 0.00 O ATOM 753 CB LEU A 49 -7.697 -4.453 -0.667 1.00 0.00 C ATOM 754 CG LEU A 49 -6.166 -4.493 -0.995 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.513 -5.740 -0.486 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.863 -4.337 -2.456 1.00 0.00 C ATOM 0 H LEU A 49 -9.175 -4.242 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.029 -6.481 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.084 -3.497 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.800 -4.457 0.418 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.750 -3.630 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.452 -5.724 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.629 -5.796 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.981 -6.610 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.785 -4.374 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.337 -5.144 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.247 -3.379 -2.807 1.00 0.00 H new ATOM 768 N GLY A 50 -11.022 -5.570 -0.869 1.00 0.00 N ATOM 769 CA GLY A 50 -12.272 -5.815 -0.156 1.00 0.00 C ATOM 770 C GLY A 50 -12.591 -4.786 0.902 1.00 0.00 C ATOM 771 O GLY A 50 -13.694 -4.756 1.428 1.00 0.00 O ATOM 0 H GLY A 50 -11.147 -5.238 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.089 -5.844 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.224 -6.798 0.312 1.00 0.00 H new ATOM 775 N MET A 51 -11.647 -3.932 1.192 1.00 0.00 N ATOM 776 CA MET A 51 -11.819 -2.958 2.242 1.00 0.00 C ATOM 777 C MET A 51 -12.657 -1.807 1.710 1.00 0.00 C ATOM 778 O MET A 51 -13.657 -1.435 2.307 1.00 0.00 O ATOM 779 CB MET A 51 -10.467 -2.476 2.737 1.00 0.00 C ATOM 780 CG MET A 51 -10.404 -2.160 4.239 1.00 0.00 C ATOM 781 SD MET A 51 -11.610 -0.949 4.785 1.00 0.00 S ATOM 782 CE MET A 51 -11.199 -0.821 6.526 1.00 0.00 C ATOM 0 H MET A 51 -10.746 -3.889 0.715 1.00 0.00 H new ATOM 0 HA MET A 51 -12.336 -3.408 3.090 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.720 -3.237 2.509 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.190 -1.581 2.180 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.552 -3.083 4.800 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.405 -1.797 4.481 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.864 -0.103 7.005 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.315 -1.796 7.000 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.167 -0.487 6.633 1.00 0.00 H new ATOM 792 N THR A 52 -12.253 -1.277 0.540 1.00 0.00 N ATOM 793 CA THR A 52 -12.970 -0.208 -0.199 1.00 0.00 C ATOM 794 C THR A 52 -13.266 1.044 0.674 1.00 0.00 C ATOM 795 O THR A 52 -14.180 1.812 0.391 1.00 0.00 O ATOM 796 CB THR A 52 -14.294 -0.769 -0.814 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.225 -1.191 0.201 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.001 -1.954 -1.716 1.00 0.00 C ATOM 0 H THR A 52 -11.402 -1.583 0.068 1.00 0.00 H new ATOM 0 HA THR A 52 -12.305 0.120 -0.998 1.00 0.00 H new ATOM 0 HB THR A 52 -14.741 0.044 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.845 -1.015 1.087 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.934 -2.332 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.340 -1.641 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.518 -2.741 -1.137 1.00 0.00 H new ATOM 806 N SER A 53 -12.433 1.261 1.665 1.00 0.00 N ATOM 807 CA SER A 53 -12.615 2.313 2.651 1.00 0.00 C ATOM 808 C SER A 53 -12.506 3.703 2.029 1.00 0.00 C ATOM 809 O SER A 53 -11.486 4.043 1.427 1.00 0.00 O ATOM 810 CB SER A 53 -11.583 2.120 3.745 1.00 0.00 C ATOM 811 OG SER A 53 -11.603 3.133 4.739 1.00 0.00 O ATOM 0 H SER A 53 -11.592 0.703 1.816 1.00 0.00 H new ATOM 0 HA SER A 53 -13.620 2.245 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.749 1.154 4.221 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.591 2.087 3.294 1.00 0.00 H new ATOM 0 HG SER A 53 -10.688 3.316 5.038 1.00 0.00 H new ATOM 817 N SER A 54 -13.551 4.500 2.206 1.00 0.00 N ATOM 818 CA SER A 54 -13.660 5.834 1.639 1.00 0.00 C ATOM 819 C SER A 54 -12.466 6.749 2.000 1.00 0.00 C ATOM 820 O SER A 54 -11.972 7.493 1.136 1.00 0.00 O ATOM 821 CB SER A 54 -14.980 6.452 2.074 1.00 0.00 C ATOM 822 OG SER A 54 -16.044 5.566 1.762 1.00 0.00 O ATOM 0 H SER A 54 -14.363 4.230 2.760 1.00 0.00 H new ATOM 0 HA SER A 54 -13.635 5.738 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.963 6.654 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.129 7.408 1.571 1.00 0.00 H new ATOM 0 HG SER A 54 -16.894 5.964 2.044 1.00 0.00 H new ATOM 828 N GLN A 55 -12.014 6.691 3.256 1.00 0.00 N ATOM 829 CA GLN A 55 -10.840 7.453 3.710 1.00 0.00 C ATOM 830 C GLN A 55 -9.630 7.026 2.928 1.00 0.00 C ATOM 831 O GLN A 55 -8.961 7.829 2.265 1.00 0.00 O ATOM 832 CB GLN A 55 -10.524 7.149 5.183 1.00 0.00 C ATOM 833 CG GLN A 55 -9.193 7.753 5.648 1.00 0.00 C ATOM 834 CD GLN A 55 -8.691 7.173 6.947 1.00 0.00 C ATOM 835 OE1 GLN A 55 -9.008 7.674 8.022 1.00 0.00 O ATOM 836 NE2 GLN A 55 -7.904 6.106 6.870 1.00 0.00 N ATOM 0 H GLN A 55 -12.445 6.121 3.984 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.065 8.511 3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.329 7.534 5.808 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.497 6.069 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.442 7.596 4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.312 8.830 5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.661 5.716 5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.543 5.676 7.722 1.00 0.00 H new ATOM 845 N ASP A 56 -9.395 5.743 2.988 1.00 0.00 N ATOM 846 CA ASP A 56 -8.214 5.131 2.470 1.00 0.00 C ATOM 847 C ASP A 56 -8.114 5.319 1.001 1.00 0.00 C ATOM 848 O ASP A 56 -7.081 5.691 0.514 1.00 0.00 O ATOM 849 CB ASP A 56 -8.159 3.679 2.878 1.00 0.00 C ATOM 850 CG ASP A 56 -8.153 3.567 4.389 1.00 0.00 C ATOM 851 OD1 ASP A 56 -7.337 4.228 5.031 1.00 0.00 O ATOM 852 OD2 ASP A 56 -9.008 2.876 4.950 1.00 0.00 O ATOM 0 H ASP A 56 -10.043 5.080 3.413 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.341 5.622 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.016 3.145 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.265 3.210 2.466 1.00 0.00 H new ATOM 857 N ARG A 57 -9.237 5.195 0.319 1.00 0.00 N ATOM 858 CA ARG A 57 -9.344 5.393 -1.131 1.00 0.00 C ATOM 859 C ARG A 57 -8.797 6.746 -1.593 1.00 0.00 C ATOM 860 O ARG A 57 -8.424 6.893 -2.750 1.00 0.00 O ATOM 861 CB ARG A 57 -10.795 5.205 -1.573 1.00 0.00 C ATOM 862 CG ARG A 57 -11.217 3.751 -1.607 1.00 0.00 C ATOM 863 CD ARG A 57 -10.738 3.076 -2.873 1.00 0.00 C ATOM 864 NE ARG A 57 -11.657 3.337 -3.995 1.00 0.00 N ATOM 865 CZ ARG A 57 -11.503 4.222 -4.989 1.00 0.00 C ATOM 866 NH1 ARG A 57 -10.486 5.094 -4.999 1.00 0.00 N ATOM 867 NH2 ARG A 57 -12.407 4.258 -5.956 1.00 0.00 N ATOM 0 H ARG A 57 -10.124 4.949 0.758 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.719 4.639 -1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.450 5.752 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.927 5.640 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.813 3.231 -0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.303 3.682 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.740 3.436 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.657 2.002 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.510 2.779 -4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.807 5.094 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.391 5.758 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.202 3.619 -5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.308 4.924 -6.722 1.00 0.00 H new ATOM 881 N ALA A 58 -8.738 7.707 -0.687 1.00 0.00 N ATOM 882 CA ALA A 58 -8.189 9.007 -0.993 1.00 0.00 C ATOM 883 C ALA A 58 -6.807 9.201 -0.343 1.00 0.00 C ATOM 884 O ALA A 58 -5.980 9.968 -0.844 1.00 0.00 O ATOM 885 CB ALA A 58 -9.146 10.099 -0.546 1.00 0.00 C ATOM 0 H ALA A 58 -9.068 7.605 0.273 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.058 9.072 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.721 11.074 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.098 9.983 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.307 10.024 0.529 1.00 0.00 H new ATOM 891 N LEU A 59 -6.547 8.502 0.757 1.00 0.00 N ATOM 892 CA LEU A 59 -5.285 8.672 1.480 1.00 0.00 C ATOM 893 C LEU A 59 -4.171 7.800 0.943 1.00 0.00 C ATOM 894 O LEU A 59 -3.079 8.298 0.635 1.00 0.00 O ATOM 895 CB LEU A 59 -5.416 8.440 2.968 1.00 0.00 C ATOM 896 CG LEU A 59 -4.120 8.713 3.737 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.675 10.152 3.549 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.250 8.380 5.195 1.00 0.00 C ATOM 0 H LEU A 59 -7.184 7.819 1.167 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.023 9.717 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.206 9.080 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.725 7.409 3.143 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.354 8.057 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.753 10.323 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.502 10.344 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.450 10.824 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.308 8.589 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.042 8.985 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.495 7.324 5.307 1.00 0.00 H new ATOM 910 N VAL A 60 -4.416 6.495 0.825 1.00 0.00 N ATOM 911 CA VAL A 60 -3.407 5.597 0.276 1.00 0.00 C ATOM 912 C VAL A 60 -3.111 5.987 -1.172 1.00 0.00 C ATOM 913 O VAL A 60 -2.014 5.842 -1.650 1.00 0.00 O ATOM 914 CB VAL A 60 -3.787 4.068 0.393 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.110 3.745 -0.233 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.727 3.222 -0.230 1.00 0.00 C ATOM 0 H VAL A 60 -5.289 6.044 1.098 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.508 5.715 0.881 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.867 3.851 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.315 2.680 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.895 4.320 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.083 3.999 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.002 2.171 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.625 3.484 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.779 3.393 0.280 1.00 0.00 H new ATOM 926 N LYS A 61 -4.075 6.658 -1.762 1.00 0.00 N ATOM 927 CA LYS A 61 -4.045 7.072 -3.161 1.00 0.00 C ATOM 928 C LYS A 61 -3.019 8.190 -3.321 1.00 0.00 C ATOM 929 O LYS A 61 -2.387 8.359 -4.366 1.00 0.00 O ATOM 930 CB LYS A 61 -5.439 7.572 -3.559 1.00 0.00 C ATOM 931 CG LYS A 61 -5.692 7.730 -5.056 1.00 0.00 C ATOM 932 CD LYS A 61 -5.609 6.384 -5.772 1.00 0.00 C ATOM 933 CE LYS A 61 -6.079 6.471 -7.218 1.00 0.00 C ATOM 934 NZ LYS A 61 -5.250 7.377 -8.027 1.00 0.00 N ATOM 0 H LYS A 61 -4.926 6.942 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.767 6.236 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.180 6.881 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.608 8.536 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.676 8.171 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.961 8.417 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.580 6.024 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.216 5.652 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.063 5.476 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.114 6.814 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.611 7.401 -9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.285 8.334 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.267 7.038 -8.030 1.00 0.00 H new ATOM 948 N LYS A 62 -2.837 8.895 -2.246 1.00 0.00 N ATOM 949 CA LYS A 62 -1.929 10.010 -2.157 1.00 0.00 C ATOM 950 C LYS A 62 -0.545 9.493 -1.884 1.00 0.00 C ATOM 951 O LYS A 62 0.417 9.849 -2.559 1.00 0.00 O ATOM 952 CB LYS A 62 -2.395 10.910 -1.002 1.00 0.00 C ATOM 953 CG LYS A 62 -1.477 12.049 -0.632 1.00 0.00 C ATOM 954 CD LYS A 62 -2.066 12.858 0.511 1.00 0.00 C ATOM 955 CE LYS A 62 -1.192 14.039 0.886 1.00 0.00 C ATOM 956 NZ LYS A 62 -1.697 14.740 2.087 1.00 0.00 N ATOM 0 H LYS A 62 -3.331 8.707 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.916 10.578 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.368 11.326 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.541 10.287 -0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.501 11.658 -0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.320 12.693 -1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.056 13.216 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.196 12.214 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.174 13.694 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.147 14.737 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.072 15.541 2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.659 15.092 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.716 14.081 2.891 1.00 0.00 H new ATOM 970 N LYS A 63 -0.487 8.600 -0.938 1.00 0.00 N ATOM 971 CA LYS A 63 0.742 8.063 -0.454 1.00 0.00 C ATOM 972 C LYS A 63 1.424 7.208 -1.524 1.00 0.00 C ATOM 973 O LYS A 63 2.629 7.279 -1.709 1.00 0.00 O ATOM 974 CB LYS A 63 0.465 7.206 0.761 1.00 0.00 C ATOM 975 CG LYS A 63 1.446 7.422 1.899 1.00 0.00 C ATOM 976 CD LYS A 63 1.258 8.788 2.561 1.00 0.00 C ATOM 977 CE LYS A 63 -0.133 8.956 3.210 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.218 10.220 3.998 1.00 0.00 N ATOM 0 H LYS A 63 -1.313 8.220 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 63 1.403 8.889 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.543 7.414 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.489 6.157 0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.317 6.637 2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.465 7.339 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.027 8.926 3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.402 9.570 1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.900 8.956 2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.338 8.106 3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.760 10.050 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.740 10.541 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.694 10.951 3.431 1.00 0.00 H new ATOM 992 N LEU A 64 0.621 6.437 -2.249 1.00 0.00 N ATOM 993 CA LEU A 64 1.111 5.507 -3.251 1.00 0.00 C ATOM 994 C LEU A 64 1.801 6.216 -4.392 1.00 0.00 C ATOM 995 O LEU A 64 2.739 5.696 -4.986 1.00 0.00 O ATOM 996 CB LEU A 64 -0.019 4.561 -3.742 1.00 0.00 C ATOM 997 CG LEU A 64 -1.171 5.157 -4.596 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.781 5.323 -6.058 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.425 4.318 -4.472 1.00 0.00 C ATOM 0 H LEU A 64 -0.395 6.442 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 64 1.868 4.883 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.446 3.765 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.465 4.095 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.375 6.152 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.620 5.743 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.075 5.993 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.519 4.352 -6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.217 4.756 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.221 3.305 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.741 4.288 -3.429 1.00 0.00 H new ATOM 1011 N LYS A 65 1.373 7.413 -4.688 1.00 0.00 N ATOM 1012 CA LYS A 65 2.003 8.110 -5.797 1.00 0.00 C ATOM 1013 C LYS A 65 3.227 8.881 -5.349 1.00 0.00 C ATOM 1014 O LYS A 65 4.003 9.353 -6.162 1.00 0.00 O ATOM 1015 CB LYS A 65 1.041 8.998 -6.564 1.00 0.00 C ATOM 1016 CG LYS A 65 0.367 10.039 -5.728 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.456 10.962 -6.600 1.00 0.00 C ATOM 1018 CE LYS A 65 -1.189 11.986 -5.777 1.00 0.00 C ATOM 1019 NZ LYS A 65 -0.275 12.832 -4.996 1.00 0.00 N ATOM 0 H LYS A 65 0.626 7.915 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 65 2.329 7.337 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.584 9.491 -7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.279 8.372 -7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.274 9.561 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.113 10.615 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.195 11.466 -7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.172 10.377 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.790 12.614 -6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.879 11.480 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.798 13.643 -4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.131 12.277 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.490 13.176 -5.611 1.00 0.00 H new ATOM 1033 N GLU A 66 3.419 8.986 -4.058 1.00 0.00 N ATOM 1034 CA GLU A 66 4.571 9.677 -3.549 1.00 0.00 C ATOM 1035 C GLU A 66 5.488 8.690 -2.845 1.00 0.00 C ATOM 1036 O GLU A 66 6.416 9.085 -2.119 1.00 0.00 O ATOM 1037 CB GLU A 66 4.165 10.810 -2.621 1.00 0.00 C ATOM 1038 CG GLU A 66 3.550 10.362 -1.325 1.00 0.00 C ATOM 1039 CD GLU A 66 3.041 11.526 -0.531 1.00 0.00 C ATOM 1040 OE1 GLU A 66 3.847 12.365 -0.104 1.00 0.00 O ATOM 1041 OE2 GLU A 66 1.820 11.673 -0.374 1.00 0.00 O ATOM 0 H GLU A 66 2.796 8.604 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 66 5.111 10.123 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.044 11.416 -2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.456 11.454 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.731 9.672 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.289 9.815 -0.739 1.00 0.00 H new