USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=15 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 -75:sc= 1.18 USER MOD Set 1.2: A 37 GLN : amide:sc= 1.2 K(o=2.4,f=-8.1!) USER MOD Set 2.1: A 8 SER OG : rot -142:sc= 0.491 USER MOD Set 2.2: A 10 GLN : amide:sc= 0.105 K(o=-0.47,f=-4!) USER MOD Set 2.3: A 11 GLN : amide:sc= -1.06 X(o=-0.47,f=-0.32) USER MOD Single : A 5 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.55) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0558 USER MOD Single : A 14 HIS : no HD1:sc= -2.11! K(o=-2.1!,f=-1.1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.46! K(o=-2.5!,f=-1.1) USER MOD Single : A 24 TYR OH : rot -167:sc= 0.562 USER MOD Single : A 26 SER OG : rot 105:sc= 0.528 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.722 K(o=-0.72,f=-3.1!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 40 GLN : amide:sc= -2.62! C(o=-2.6!,f=-1.4!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00229) USER MOD Single : A 51 MET CE :methyl -140:sc= -0.562 (180deg=-2.41!) USER MOD Single : A 52 THR OG1 : rot -1:sc= 0.772 USER MOD Single : A 53 SER OG : rot -140:sc= 1.28 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00321 USER MOD Single : A 55 GLN : amide:sc= -0.555 K(o=-0.56,f=-0.011) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.0786 (180deg=-0.445) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc=-0.000188 (180deg=-0.0615) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= -0.607 (180deg=-2.85!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 11.010 -0.496 -2.181 1.00 0.00 N ATOM 45 CA VAL A 4 9.701 -1.146 -2.153 1.00 0.00 C ATOM 46 C VAL A 4 9.582 -2.311 -3.104 1.00 0.00 C ATOM 47 O VAL A 4 8.851 -3.254 -2.847 1.00 0.00 O ATOM 48 CB VAL A 4 8.573 -0.132 -2.397 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.798 1.038 -1.521 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.489 0.315 -3.832 1.00 0.00 C ATOM 0 HA VAL A 4 9.599 -1.559 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 4 7.626 -0.620 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.006 1.770 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.792 0.719 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.762 1.489 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.674 1.030 -3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.428 0.787 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.304 -0.548 -4.472 1.00 0.00 H new ATOM 60 N HIS A 5 10.326 -2.271 -4.175 1.00 0.00 N ATOM 61 CA HIS A 5 10.303 -3.339 -5.149 1.00 0.00 C ATOM 62 C HIS A 5 10.907 -4.633 -4.558 1.00 0.00 C ATOM 63 O HIS A 5 10.653 -5.729 -5.047 1.00 0.00 O ATOM 64 CB HIS A 5 11.004 -2.906 -6.464 1.00 0.00 C ATOM 65 CG HIS A 5 12.328 -2.233 -6.267 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.484 -0.865 -6.275 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.548 -2.747 -6.003 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.749 -0.592 -6.007 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.452 -1.705 -5.835 1.00 0.00 N ATOM 0 H HIS A 5 10.962 -1.506 -4.401 1.00 0.00 H new ATOM 0 HA HIS A 5 9.265 -3.557 -5.401 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.147 -3.786 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.344 -2.230 -7.008 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.784 -3.799 -5.934 1.00 0.00 H new ATOM 0 HE1 HIS A 5 14.157 0.405 -5.937 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.447 -1.780 -5.624 1.00 0.00 H new ATOM 77 N GLU A 6 11.657 -4.483 -3.468 1.00 0.00 N ATOM 78 CA GLU A 6 12.308 -5.603 -2.780 1.00 0.00 C ATOM 79 C GLU A 6 11.399 -6.146 -1.689 1.00 0.00 C ATOM 80 O GLU A 6 11.658 -7.217 -1.115 1.00 0.00 O ATOM 81 CB GLU A 6 13.578 -5.114 -2.118 1.00 0.00 C ATOM 82 CG GLU A 6 14.545 -4.425 -3.057 1.00 0.00 C ATOM 83 CD GLU A 6 15.279 -5.377 -3.960 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.650 -6.151 -4.706 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.519 -5.381 -3.917 1.00 0.00 O ATOM 0 H GLU A 6 11.833 -3.577 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 6 12.524 -6.381 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.314 -4.424 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.082 -5.962 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.998 -3.706 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.270 -3.860 -2.471 1.00 0.00 H new ATOM 92 N TRP A 7 10.352 -5.394 -1.384 1.00 0.00 N ATOM 93 CA TRP A 7 9.429 -5.770 -0.344 1.00 0.00 C ATOM 94 C TRP A 7 8.697 -7.015 -0.725 1.00 0.00 C ATOM 95 O TRP A 7 8.354 -7.220 -1.891 1.00 0.00 O ATOM 96 CB TRP A 7 8.448 -4.644 -0.001 1.00 0.00 C ATOM 97 CG TRP A 7 9.083 -3.449 0.647 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.373 -3.326 1.074 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.440 -2.225 0.971 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.571 -2.090 1.609 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.404 -1.394 1.565 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.144 -1.744 0.809 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.117 -0.111 1.995 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.856 -0.470 1.238 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.840 0.336 1.826 1.00 0.00 C ATOM 0 H TRP A 7 10.127 -4.515 -1.850 1.00 0.00 H new ATOM 0 HA TRP A 7 10.014 -5.964 0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.946 -4.324 -0.914 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.679 -5.038 0.664 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.126 -4.096 0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.454 -1.742 1.983 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.380 -2.359 0.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.875 0.512 2.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.854 -0.084 1.120 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.581 1.333 2.152 1.00 0.00 H new ATOM 116 N SER A 8 8.514 -7.851 0.232 1.00 0.00 N ATOM 117 CA SER A 8 7.875 -9.099 0.062 1.00 0.00 C ATOM 118 C SER A 8 6.396 -8.995 0.290 1.00 0.00 C ATOM 119 O SER A 8 5.627 -8.706 -0.606 1.00 0.00 O ATOM 120 CB SER A 8 8.498 -10.047 1.058 1.00 0.00 C ATOM 121 OG SER A 8 8.970 -9.299 2.185 1.00 0.00 O ATOM 0 H SER A 8 8.818 -7.675 1.190 1.00 0.00 H new ATOM 0 HA SER A 8 8.007 -9.455 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.767 -10.789 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.322 -10.590 0.595 1.00 0.00 H new ATOM 0 HG SER A 8 9.817 -9.680 2.499 1.00 0.00 H new ATOM 127 N VAL A 9 6.037 -9.180 1.509 1.00 0.00 N ATOM 128 CA VAL A 9 4.676 -9.178 1.929 1.00 0.00 C ATOM 129 C VAL A 9 4.584 -8.404 3.219 1.00 0.00 C ATOM 130 O VAL A 9 3.975 -7.369 3.279 1.00 0.00 O ATOM 131 CB VAL A 9 4.162 -10.635 2.144 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.765 -10.634 2.691 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.192 -11.425 0.847 1.00 0.00 C ATOM 0 H VAL A 9 6.700 -9.342 2.267 1.00 0.00 H new ATOM 0 HA VAL A 9 4.056 -8.715 1.162 1.00 0.00 H new ATOM 0 HB VAL A 9 4.829 -11.110 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.429 -11.661 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.749 -10.112 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.100 -10.128 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.828 -12.436 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.555 -10.937 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.214 -11.469 0.471 1.00 0.00 H new ATOM 143 N GLN A 10 5.291 -8.863 4.225 1.00 0.00 N ATOM 144 CA GLN A 10 5.251 -8.223 5.529 1.00 0.00 C ATOM 145 C GLN A 10 5.980 -6.874 5.521 1.00 0.00 C ATOM 146 O GLN A 10 5.814 -6.054 6.422 1.00 0.00 O ATOM 147 CB GLN A 10 5.776 -9.161 6.636 1.00 0.00 C ATOM 148 CG GLN A 10 7.275 -9.464 6.637 1.00 0.00 C ATOM 149 CD GLN A 10 7.757 -10.216 5.414 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.016 -10.965 4.787 1.00 0.00 O ATOM 151 NE2 GLN A 10 8.985 -10.030 5.068 1.00 0.00 N ATOM 0 H GLN A 10 5.903 -9.677 4.170 1.00 0.00 H new ATOM 0 HA GLN A 10 4.206 -8.014 5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.518 -8.724 7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.239 -10.107 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.824 -8.525 6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.516 -10.046 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.578 -9.401 5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.364 -10.512 4.253 1.00 0.00 H new ATOM 160 N GLN A 11 6.765 -6.644 4.482 1.00 0.00 N ATOM 161 CA GLN A 11 7.450 -5.383 4.320 1.00 0.00 C ATOM 162 C GLN A 11 6.504 -4.307 3.782 1.00 0.00 C ATOM 163 O GLN A 11 6.720 -3.121 3.999 1.00 0.00 O ATOM 164 CB GLN A 11 8.671 -5.509 3.410 1.00 0.00 C ATOM 165 CG GLN A 11 9.820 -6.325 3.969 1.00 0.00 C ATOM 166 CD GLN A 11 11.056 -6.251 3.082 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.900 -5.368 3.243 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.199 -7.170 2.165 1.00 0.00 N ATOM 0 H GLN A 11 6.941 -7.320 3.738 1.00 0.00 H new ATOM 0 HA GLN A 11 7.797 -5.084 5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.355 -5.956 2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.037 -4.508 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.068 -5.965 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.510 -7.365 4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.487 -7.891 2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.023 -7.167 1.564 1.00 0.00 H new ATOM 177 N VAL A 12 5.425 -4.726 3.125 1.00 0.00 N ATOM 178 CA VAL A 12 4.490 -3.780 2.521 1.00 0.00 C ATOM 179 C VAL A 12 3.637 -3.143 3.628 1.00 0.00 C ATOM 180 O VAL A 12 3.187 -1.988 3.525 1.00 0.00 O ATOM 181 CB VAL A 12 3.573 -4.484 1.453 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.340 -5.157 2.046 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.200 -3.542 0.337 1.00 0.00 C ATOM 0 H VAL A 12 5.177 -5.707 2.998 1.00 0.00 H new ATOM 0 HA VAL A 12 5.056 -3.006 2.003 1.00 0.00 H new ATOM 0 HB VAL A 12 4.177 -5.289 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.759 -5.619 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.650 -5.921 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.729 -4.412 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.567 -4.062 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.659 -2.689 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.104 -3.193 -0.162 1.00 0.00 H new ATOM 193 N SER A 13 3.479 -3.894 4.712 1.00 0.00 N ATOM 194 CA SER A 13 2.692 -3.486 5.831 1.00 0.00 C ATOM 195 C SER A 13 3.362 -2.332 6.564 1.00 0.00 C ATOM 196 O SER A 13 2.678 -1.478 7.122 1.00 0.00 O ATOM 197 CB SER A 13 2.508 -4.670 6.757 1.00 0.00 C ATOM 198 OG SER A 13 2.521 -5.882 6.002 1.00 0.00 O ATOM 0 H SER A 13 3.907 -4.813 4.823 1.00 0.00 H new ATOM 0 HA SER A 13 1.718 -3.139 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.303 -4.687 7.503 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.566 -4.578 7.297 1.00 0.00 H new ATOM 0 HG SER A 13 2.403 -6.645 6.606 1.00 0.00 H new ATOM 204 N HIS A 14 4.711 -2.280 6.505 1.00 0.00 N ATOM 205 CA HIS A 14 5.475 -1.207 7.167 1.00 0.00 C ATOM 206 C HIS A 14 5.057 0.128 6.596 1.00 0.00 C ATOM 207 O HIS A 14 4.993 1.132 7.307 1.00 0.00 O ATOM 208 CB HIS A 14 6.999 -1.340 6.977 1.00 0.00 C ATOM 209 CG HIS A 14 7.646 -2.595 7.482 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.479 -3.110 8.747 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.516 -3.420 6.858 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.238 -4.203 8.852 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.895 -4.439 7.723 1.00 0.00 N ATOM 0 H HIS A 14 5.286 -2.962 6.010 1.00 0.00 H new ATOM 0 HA HIS A 14 5.258 -1.285 8.232 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.215 -1.253 5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.476 -0.492 7.469 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.864 -3.305 5.842 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.308 -4.815 9.739 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.541 -5.205 7.531 1.00 0.00 H new ATOM 221 N TRP A 15 4.785 0.129 5.308 1.00 0.00 N ATOM 222 CA TRP A 15 4.303 1.298 4.648 1.00 0.00 C ATOM 223 C TRP A 15 2.899 1.596 5.110 1.00 0.00 C ATOM 224 O TRP A 15 2.684 2.614 5.736 1.00 0.00 O ATOM 225 CB TRP A 15 4.384 1.157 3.117 1.00 0.00 C ATOM 226 CG TRP A 15 3.625 2.217 2.365 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.917 3.544 2.280 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.441 2.015 1.588 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.964 4.188 1.531 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.051 3.266 1.081 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.671 0.898 1.283 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.917 3.421 0.286 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.557 1.058 0.492 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.192 2.301 0.009 1.00 0.00 C ATOM 0 H TRP A 15 4.895 -0.683 4.701 1.00 0.00 H new ATOM 0 HA TRP A 15 4.941 2.141 4.914 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.431 1.190 2.814 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.000 0.178 2.831 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.773 4.020 2.735 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.938 5.190 1.340 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.942 -0.077 1.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.625 4.389 -0.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.044 0.196 0.243 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.692 2.387 -0.605 1.00 0.00 H new ATOM 245 N LEU A 16 1.980 0.658 4.863 1.00 0.00 N ATOM 246 CA LEU A 16 0.547 0.799 5.182 1.00 0.00 C ATOM 247 C LEU A 16 0.314 1.309 6.594 1.00 0.00 C ATOM 248 O LEU A 16 -0.383 2.295 6.791 1.00 0.00 O ATOM 249 CB LEU A 16 -0.147 -0.538 5.007 1.00 0.00 C ATOM 250 CG LEU A 16 -0.254 -1.066 3.573 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.483 -2.546 3.573 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.409 -0.403 2.848 1.00 0.00 C ATOM 0 H LEU A 16 2.209 -0.236 4.429 1.00 0.00 H new ATOM 0 HA LEU A 16 0.132 1.537 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.383 -1.279 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.153 -0.457 5.418 1.00 0.00 H new ATOM 0 HG LEU A 16 0.683 -0.837 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.556 -2.903 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.349 -3.043 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.409 -2.771 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.470 -0.790 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.339 -0.617 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.249 0.675 2.817 1.00 0.00 H new ATOM 264 N VAL A 17 0.936 0.679 7.558 1.00 0.00 N ATOM 265 CA VAL A 17 0.775 1.045 8.957 1.00 0.00 C ATOM 266 C VAL A 17 1.235 2.499 9.208 1.00 0.00 C ATOM 267 O VAL A 17 0.645 3.209 10.021 1.00 0.00 O ATOM 268 CB VAL A 17 1.541 0.058 9.880 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.481 0.478 11.344 1.00 0.00 C ATOM 270 CG2 VAL A 17 0.999 -1.357 9.725 1.00 0.00 C ATOM 0 H VAL A 17 1.571 -0.104 7.403 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.286 0.982 9.198 1.00 0.00 H new ATOM 0 HB VAL A 17 2.585 0.079 9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.030 -0.241 11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.928 1.465 11.458 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.442 0.511 11.671 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.550 -2.031 10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.057 -1.373 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.116 -1.680 8.691 1.00 0.00 H new ATOM 280 N GLY A 18 2.182 2.960 8.403 1.00 0.00 N ATOM 281 CA GLY A 18 2.766 4.274 8.577 1.00 0.00 C ATOM 282 C GLY A 18 1.811 5.380 8.181 1.00 0.00 C ATOM 283 O GLY A 18 1.943 6.521 8.628 1.00 0.00 O ATOM 0 H GLY A 18 2.563 2.434 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.059 4.405 9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.674 4.349 7.979 1.00 0.00 H new ATOM 287 N LEU A 19 0.853 5.050 7.336 1.00 0.00 N ATOM 288 CA LEU A 19 -0.159 6.008 6.945 1.00 0.00 C ATOM 289 C LEU A 19 -1.508 5.635 7.521 1.00 0.00 C ATOM 290 O LEU A 19 -2.528 6.103 7.048 1.00 0.00 O ATOM 291 CB LEU A 19 -0.260 6.186 5.414 1.00 0.00 C ATOM 292 CG LEU A 19 -0.463 4.939 4.560 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.168 5.287 3.286 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.847 4.335 4.207 1.00 0.00 C ATOM 0 H LEU A 19 0.756 4.129 6.909 1.00 0.00 H new ATOM 0 HA LEU A 19 0.153 6.968 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.086 6.868 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.651 6.679 5.074 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.059 4.234 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.305 4.386 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.141 5.722 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.572 6.007 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.685 3.446 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.441 5.057 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.378 4.059 5.118 1.00 0.00 H new ATOM 306 N SER A 20 -1.492 4.799 8.567 1.00 0.00 N ATOM 307 CA SER A 20 -2.712 4.341 9.259 1.00 0.00 C ATOM 308 C SER A 20 -3.582 3.446 8.366 1.00 0.00 C ATOM 309 O SER A 20 -4.756 3.257 8.622 1.00 0.00 O ATOM 310 CB SER A 20 -3.524 5.530 9.782 1.00 0.00 C ATOM 311 OG SER A 20 -2.762 6.338 10.675 1.00 0.00 O ATOM 0 H SER A 20 -0.632 4.418 8.961 1.00 0.00 H new ATOM 0 HA SER A 20 -2.389 3.739 10.108 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.863 6.136 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.416 5.165 10.292 1.00 0.00 H new ATOM 0 HG SER A 20 -3.311 7.087 10.987 1.00 0.00 H new ATOM 317 N LEU A 21 -2.951 2.829 7.401 1.00 0.00 N ATOM 318 CA LEU A 21 -3.576 1.949 6.424 1.00 0.00 C ATOM 319 C LEU A 21 -3.349 0.521 6.841 1.00 0.00 C ATOM 320 O LEU A 21 -3.471 -0.401 6.044 1.00 0.00 O ATOM 321 CB LEU A 21 -2.979 2.193 5.030 1.00 0.00 C ATOM 322 CG LEU A 21 -3.699 3.180 4.084 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.790 2.472 3.336 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.283 4.377 4.831 1.00 0.00 C ATOM 0 H LEU A 21 -1.945 2.924 7.261 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.646 2.154 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.957 2.548 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.918 1.231 4.522 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.953 3.559 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.292 3.176 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.361 1.661 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.511 2.064 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.778 5.041 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.006 4.028 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.482 4.917 5.336 1.00 0.00 H new ATOM 336 N ASP A 22 -3.040 0.349 8.116 1.00 0.00 N ATOM 337 CA ASP A 22 -2.853 -0.954 8.747 1.00 0.00 C ATOM 338 C ASP A 22 -4.052 -1.884 8.501 1.00 0.00 C ATOM 339 O ASP A 22 -3.879 -3.098 8.425 1.00 0.00 O ATOM 340 CB ASP A 22 -2.609 -0.805 10.259 1.00 0.00 C ATOM 341 CG ASP A 22 -3.835 -0.351 11.029 1.00 0.00 C ATOM 342 OD1 ASP A 22 -4.428 0.674 10.670 1.00 0.00 O ATOM 343 OD2 ASP A 22 -4.213 -1.011 12.016 1.00 0.00 O ATOM 0 H ASP A 22 -2.908 1.129 8.760 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.973 -1.405 8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.271 -1.761 10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.803 -0.089 10.420 1.00 0.00 H new ATOM 348 N GLN A 23 -5.253 -1.320 8.319 1.00 0.00 N ATOM 349 CA GLN A 23 -6.426 -2.160 8.034 1.00 0.00 C ATOM 350 C GLN A 23 -6.373 -2.783 6.641 1.00 0.00 C ATOM 351 O GLN A 23 -7.099 -3.723 6.334 1.00 0.00 O ATOM 352 CB GLN A 23 -7.761 -1.444 8.243 1.00 0.00 C ATOM 353 CG GLN A 23 -8.043 -0.205 7.386 1.00 0.00 C ATOM 354 CD GLN A 23 -7.532 1.035 8.007 1.00 0.00 C ATOM 355 OE1 GLN A 23 -8.205 1.666 8.813 1.00 0.00 O ATOM 356 NE2 GLN A 23 -6.397 1.432 7.592 1.00 0.00 N ATOM 0 H GLN A 23 -5.437 -0.318 8.362 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.374 -2.961 8.772 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.560 -2.164 8.066 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.824 -1.149 9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.585 -0.333 6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.117 -0.113 7.227 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.875 0.870 6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.009 2.312 7.931 1.00 0.00 H new ATOM 365 N TYR A 24 -5.503 -2.276 5.814 1.00 0.00 N ATOM 366 CA TYR A 24 -5.350 -2.784 4.484 1.00 0.00 C ATOM 367 C TYR A 24 -4.347 -3.916 4.445 1.00 0.00 C ATOM 368 O TYR A 24 -4.381 -4.747 3.538 1.00 0.00 O ATOM 369 CB TYR A 24 -4.983 -1.676 3.521 1.00 0.00 C ATOM 370 CG TYR A 24 -6.151 -1.188 2.699 1.00 0.00 C ATOM 371 CD1 TYR A 24 -7.052 -0.249 3.185 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.353 -1.686 1.425 1.00 0.00 C ATOM 373 CE1 TYR A 24 -8.120 0.172 2.407 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.413 -1.273 0.648 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.290 -0.345 1.133 1.00 0.00 C ATOM 376 OH TYR A 24 -9.365 0.041 0.348 1.00 0.00 O ATOM 0 H TYR A 24 -4.882 -1.500 6.044 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.309 -3.191 4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.568 -0.839 4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.199 -2.031 2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.920 0.157 4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.663 -2.417 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.817 0.901 2.793 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.550 -1.682 -0.342 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.441 -0.561 -0.422 1.00 0.00 H new ATOM 386 N VAL A 25 -3.487 -3.977 5.463 1.00 0.00 N ATOM 387 CA VAL A 25 -2.474 -5.049 5.583 1.00 0.00 C ATOM 388 C VAL A 25 -3.149 -6.416 5.606 1.00 0.00 C ATOM 389 O VAL A 25 -2.627 -7.385 5.041 1.00 0.00 O ATOM 390 CB VAL A 25 -1.570 -4.900 6.852 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.576 -6.030 6.953 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.871 -3.562 6.860 1.00 0.00 C ATOM 0 H VAL A 25 -3.465 -3.298 6.224 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.829 -4.959 4.709 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.216 -4.950 7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.037 -5.897 7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.109 -6.979 7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.064 -6.032 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.249 -3.482 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.246 -3.473 5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.613 -2.764 6.863 1.00 0.00 H new ATOM 402 N SER A 26 -4.333 -6.453 6.207 1.00 0.00 N ATOM 403 CA SER A 26 -5.150 -7.641 6.347 1.00 0.00 C ATOM 404 C SER A 26 -5.288 -8.390 5.010 1.00 0.00 C ATOM 405 O SER A 26 -5.145 -9.610 4.951 1.00 0.00 O ATOM 406 CB SER A 26 -6.523 -7.200 6.827 1.00 0.00 C ATOM 407 OG SER A 26 -6.393 -6.217 7.854 1.00 0.00 O ATOM 0 H SER A 26 -4.760 -5.625 6.623 1.00 0.00 H new ATOM 0 HA SER A 26 -4.681 -8.322 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.094 -6.792 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.078 -8.059 7.204 1.00 0.00 H new ATOM 0 HG SER A 26 -6.614 -5.334 7.491 1.00 0.00 H new ATOM 413 N GLU A 27 -5.487 -7.642 3.941 1.00 0.00 N ATOM 414 CA GLU A 27 -5.682 -8.237 2.646 1.00 0.00 C ATOM 415 C GLU A 27 -4.431 -8.046 1.769 1.00 0.00 C ATOM 416 O GLU A 27 -4.137 -8.879 0.930 1.00 0.00 O ATOM 417 CB GLU A 27 -6.920 -7.651 1.984 1.00 0.00 C ATOM 418 CG GLU A 27 -7.341 -8.341 0.692 1.00 0.00 C ATOM 419 CD GLU A 27 -7.865 -9.737 0.886 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.999 -9.889 1.396 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.218 -10.690 0.455 1.00 0.00 O ATOM 0 H GLU A 27 -5.517 -6.622 3.951 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.838 -9.309 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.749 -7.697 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.738 -6.597 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.109 -7.740 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.487 -8.375 0.016 1.00 0.00 H new ATOM 428 N PHE A 28 -3.676 -6.954 1.987 1.00 0.00 N ATOM 429 CA PHE A 28 -2.413 -6.709 1.247 1.00 0.00 C ATOM 430 C PHE A 28 -1.471 -7.901 1.397 1.00 0.00 C ATOM 431 O PHE A 28 -0.892 -8.396 0.420 1.00 0.00 O ATOM 432 CB PHE A 28 -1.714 -5.436 1.747 1.00 0.00 C ATOM 433 CG PHE A 28 -1.888 -4.220 0.866 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.118 -3.616 0.710 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.798 -3.676 0.198 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.259 -2.499 -0.094 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.937 -2.562 -0.600 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.170 -1.975 -0.745 1.00 0.00 C ATOM 0 H PHE A 28 -3.912 -6.228 2.664 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.665 -6.576 0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.090 -5.201 2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.648 -5.642 1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.980 -4.019 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.174 -4.134 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.229 -2.038 -0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.078 -2.151 -1.110 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.283 -1.102 -1.371 1.00 0.00 H new ATOM 448 N SER A 29 -1.413 -8.408 2.611 1.00 0.00 N ATOM 449 CA SER A 29 -0.583 -9.532 2.961 1.00 0.00 C ATOM 450 C SER A 29 -1.159 -10.822 2.361 1.00 0.00 C ATOM 451 O SER A 29 -0.433 -11.769 2.067 1.00 0.00 O ATOM 452 CB SER A 29 -0.502 -9.627 4.502 1.00 0.00 C ATOM 453 OG SER A 29 0.329 -10.692 4.955 1.00 0.00 O ATOM 0 H SER A 29 -1.953 -8.040 3.394 1.00 0.00 H new ATOM 0 HA SER A 29 0.420 -9.396 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.123 -8.685 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.506 -9.761 4.905 1.00 0.00 H new ATOM 0 HG SER A 29 0.343 -10.702 5.935 1.00 0.00 H new ATOM 459 N ALA A 30 -2.449 -10.822 2.110 1.00 0.00 N ATOM 460 CA ALA A 30 -3.126 -12.001 1.650 1.00 0.00 C ATOM 461 C ALA A 30 -2.924 -12.214 0.163 1.00 0.00 C ATOM 462 O ALA A 30 -2.873 -13.347 -0.306 1.00 0.00 O ATOM 463 CB ALA A 30 -4.593 -11.938 1.996 1.00 0.00 C ATOM 0 H ALA A 30 -3.051 -10.006 2.220 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.690 -12.859 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.090 -12.840 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.709 -11.863 3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.042 -11.065 1.522 1.00 0.00 H new ATOM 469 N GLN A 31 -2.783 -11.140 -0.584 1.00 0.00 N ATOM 470 CA GLN A 31 -2.586 -11.281 -2.033 1.00 0.00 C ATOM 471 C GLN A 31 -1.122 -11.156 -2.376 1.00 0.00 C ATOM 472 O GLN A 31 -0.750 -11.187 -3.555 1.00 0.00 O ATOM 473 CB GLN A 31 -3.370 -10.244 -2.838 1.00 0.00 C ATOM 474 CG GLN A 31 -4.498 -9.582 -2.093 1.00 0.00 C ATOM 475 CD GLN A 31 -5.402 -8.772 -2.995 1.00 0.00 C ATOM 476 OE1 GLN A 31 -4.974 -8.233 -4.015 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.649 -8.688 -2.638 1.00 0.00 N ATOM 0 H GLN A 31 -2.798 -10.181 -0.237 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.959 -12.269 -2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.679 -9.474 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.775 -10.727 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.088 -10.345 -1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.085 -8.932 -1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.967 -9.148 -1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.309 -8.162 -3.211 1.00 0.00 H new ATOM 486 N ASN A 32 -0.291 -11.020 -1.334 1.00 0.00 N ATOM 487 CA ASN A 32 1.160 -10.869 -1.482 1.00 0.00 C ATOM 488 C ASN A 32 1.457 -9.618 -2.289 1.00 0.00 C ATOM 489 O ASN A 32 2.338 -9.611 -3.166 1.00 0.00 O ATOM 490 CB ASN A 32 1.797 -12.103 -2.161 1.00 0.00 C ATOM 491 CG ASN A 32 1.528 -13.405 -1.437 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.279 -13.807 -0.552 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.474 -14.091 -1.827 1.00 0.00 N ATOM 0 H ASN A 32 -0.608 -11.012 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 32 1.597 -10.781 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.420 -12.180 -3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.874 -11.952 -2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.259 -14.988 -1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.128 -13.726 -2.565 1.00 0.00 H new ATOM 500 N ILE A 33 0.710 -8.559 -1.996 1.00 0.00 N ATOM 501 CA ILE A 33 0.892 -7.304 -2.672 1.00 0.00 C ATOM 502 C ILE A 33 2.214 -6.709 -2.214 1.00 0.00 C ATOM 503 O ILE A 33 2.347 -6.316 -1.070 1.00 0.00 O ATOM 504 CB ILE A 33 -0.264 -6.286 -2.376 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.626 -6.828 -2.849 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.016 -4.930 -3.039 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.742 -7.029 -4.359 1.00 0.00 C ATOM 0 H ILE A 33 -0.027 -8.557 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 33 0.885 -7.491 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.305 -6.149 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.815 -7.780 -2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.408 -6.140 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.800 -4.242 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.949 -4.522 -2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.098 -5.062 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.733 -7.413 -4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.589 -6.076 -4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.987 -7.742 -4.690 1.00 0.00 H new ATOM 519 N SER A 34 3.187 -6.699 -3.077 1.00 0.00 N ATOM 520 CA SER A 34 4.467 -6.166 -2.715 1.00 0.00 C ATOM 521 C SER A 34 4.581 -4.760 -3.280 1.00 0.00 C ATOM 522 O SER A 34 3.602 -4.224 -3.827 1.00 0.00 O ATOM 523 CB SER A 34 5.599 -7.063 -3.253 1.00 0.00 C ATOM 524 OG SER A 34 5.713 -7.004 -4.670 1.00 0.00 O ATOM 0 H SER A 34 3.120 -7.052 -4.032 1.00 0.00 H new ATOM 0 HA SER A 34 4.560 -6.134 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.544 -6.760 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.417 -8.094 -2.949 1.00 0.00 H new ATOM 0 HG SER A 34 4.983 -7.514 -5.078 1.00 0.00 H new ATOM 530 N GLY A 35 5.776 -4.186 -3.210 1.00 0.00 N ATOM 531 CA GLY A 35 6.026 -2.859 -3.732 1.00 0.00 C ATOM 532 C GLY A 35 5.779 -2.795 -5.220 1.00 0.00 C ATOM 533 O GLY A 35 5.393 -1.757 -5.747 1.00 0.00 O ATOM 0 H GLY A 35 6.593 -4.630 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.383 -2.140 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.056 -2.571 -3.520 1.00 0.00 H new ATOM 537 N GLU A 36 5.942 -3.943 -5.863 1.00 0.00 N ATOM 538 CA GLU A 36 5.718 -4.129 -7.285 1.00 0.00 C ATOM 539 C GLU A 36 4.286 -3.707 -7.640 1.00 0.00 C ATOM 540 O GLU A 36 4.056 -2.970 -8.592 1.00 0.00 O ATOM 541 CB GLU A 36 5.944 -5.610 -7.596 1.00 0.00 C ATOM 542 CG GLU A 36 5.770 -6.027 -9.036 1.00 0.00 C ATOM 543 CD GLU A 36 5.940 -7.516 -9.190 1.00 0.00 C ATOM 544 OE1 GLU A 36 4.939 -8.262 -9.055 1.00 0.00 O ATOM 545 OE2 GLU A 36 7.080 -7.978 -9.417 1.00 0.00 O ATOM 0 H GLU A 36 6.243 -4.796 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 36 6.401 -3.518 -7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.954 -5.875 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.257 -6.196 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.781 -5.732 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.498 -5.508 -9.659 1.00 0.00 H new ATOM 552 N GLN A 37 3.345 -4.119 -6.810 1.00 0.00 N ATOM 553 CA GLN A 37 1.956 -3.803 -7.030 1.00 0.00 C ATOM 554 C GLN A 37 1.495 -2.593 -6.211 1.00 0.00 C ATOM 555 O GLN A 37 0.386 -2.108 -6.389 1.00 0.00 O ATOM 556 CB GLN A 37 1.015 -5.030 -6.848 1.00 0.00 C ATOM 557 CG GLN A 37 1.527 -6.184 -5.995 1.00 0.00 C ATOM 558 CD GLN A 37 2.637 -7.017 -6.625 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.461 -7.567 -5.914 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.676 -7.106 -7.934 1.00 0.00 N ATOM 0 H GLN A 37 3.525 -4.676 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 37 1.880 -3.519 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.081 -4.677 -6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.777 -5.422 -7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.889 -5.782 -5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.689 -6.841 -5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.970 -6.633 -8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.412 -7.648 -8.387 1.00 0.00 H new ATOM 569 N LEU A 38 2.380 -2.104 -5.362 1.00 0.00 N ATOM 570 CA LEU A 38 2.139 -0.949 -4.486 1.00 0.00 C ATOM 571 C LEU A 38 2.287 0.331 -5.305 1.00 0.00 C ATOM 572 O LEU A 38 1.422 1.190 -5.303 1.00 0.00 O ATOM 573 CB LEU A 38 3.196 -0.983 -3.363 1.00 0.00 C ATOM 574 CG LEU A 38 2.941 -0.207 -2.056 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.090 -0.442 -1.106 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.796 1.275 -2.281 1.00 0.00 C ATOM 0 H LEU A 38 3.313 -2.502 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 38 1.137 -0.981 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.356 -2.028 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.132 -0.615 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 38 2.003 -0.574 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.914 0.105 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.170 -1.507 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.017 -0.094 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.618 1.772 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.709 1.666 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.955 1.461 -2.950 1.00 0.00 H new ATOM 588 N LEU A 39 3.377 0.415 -6.026 1.00 0.00 N ATOM 589 CA LEU A 39 3.711 1.582 -6.842 1.00 0.00 C ATOM 590 C LEU A 39 2.647 1.857 -7.891 1.00 0.00 C ATOM 591 O LEU A 39 2.338 3.010 -8.208 1.00 0.00 O ATOM 592 CB LEU A 39 5.042 1.325 -7.525 1.00 0.00 C ATOM 593 CG LEU A 39 6.227 1.147 -6.592 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.410 0.547 -7.338 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.593 2.491 -5.972 1.00 0.00 C ATOM 0 H LEU A 39 4.074 -0.329 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 39 3.769 2.457 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.949 0.431 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.252 2.156 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 39 5.956 0.456 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.249 0.427 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.130 -0.426 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.699 1.209 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.443 2.363 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.855 3.196 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.743 2.876 -5.409 1.00 0.00 H new ATOM 607 N GLN A 40 2.092 0.805 -8.408 1.00 0.00 N ATOM 608 CA GLN A 40 1.109 0.906 -9.467 1.00 0.00 C ATOM 609 C GLN A 40 -0.349 0.845 -8.946 1.00 0.00 C ATOM 610 O GLN A 40 -1.283 0.733 -9.742 1.00 0.00 O ATOM 611 CB GLN A 40 1.409 -0.155 -10.553 1.00 0.00 C ATOM 612 CG GLN A 40 1.295 -1.607 -10.090 1.00 0.00 C ATOM 613 CD GLN A 40 -0.077 -2.197 -10.313 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.781 -1.846 -11.259 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.485 -3.062 -9.446 1.00 0.00 N ATOM 0 H GLN A 40 2.300 -0.150 -8.116 1.00 0.00 H new ATOM 0 HA GLN A 40 1.194 1.893 -9.921 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.725 -0.001 -11.388 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.417 0.011 -10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.033 -2.209 -10.620 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.540 -1.664 -9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.121 -3.333 -8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.414 -3.474 -9.535 1.00 0.00 H new ATOM 624 N LEU A 41 -0.536 0.955 -7.619 1.00 0.00 N ATOM 625 CA LEU A 41 -1.872 0.935 -7.003 1.00 0.00 C ATOM 626 C LEU A 41 -2.819 1.976 -7.586 1.00 0.00 C ATOM 627 O LEU A 41 -2.400 3.022 -8.103 1.00 0.00 O ATOM 628 CB LEU A 41 -1.796 1.149 -5.512 1.00 0.00 C ATOM 629 CG LEU A 41 -1.371 -0.031 -4.670 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.148 0.437 -3.275 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.442 -1.109 -4.673 1.00 0.00 C ATOM 0 H LEU A 41 0.227 1.059 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.270 -0.056 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.102 1.968 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.777 1.476 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.456 -0.454 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.840 -0.404 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.368 1.198 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.072 0.860 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.114 -1.949 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.368 -0.703 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.613 -1.450 -5.694 1.00 0.00 H new ATOM 643 N ASP A 42 -4.084 1.687 -7.473 1.00 0.00 N ATOM 644 CA ASP A 42 -5.152 2.522 -7.983 1.00 0.00 C ATOM 645 C ASP A 42 -6.387 2.149 -7.188 1.00 0.00 C ATOM 646 O ASP A 42 -6.341 1.135 -6.461 1.00 0.00 O ATOM 647 CB ASP A 42 -5.366 2.229 -9.495 1.00 0.00 C ATOM 648 CG ASP A 42 -6.441 3.085 -10.133 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.173 4.265 -10.450 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.583 2.604 -10.284 1.00 0.00 O ATOM 0 H ASP A 42 -4.418 0.841 -7.011 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.926 3.584 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.426 2.387 -10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.629 1.178 -9.619 1.00 0.00 H new ATOM 655 N GLY A 43 -7.471 2.926 -7.298 1.00 0.00 N ATOM 656 CA GLY A 43 -8.713 2.622 -6.595 1.00 0.00 C ATOM 657 C GLY A 43 -9.188 1.244 -6.932 1.00 0.00 C ATOM 658 O GLY A 43 -9.664 0.538 -6.064 1.00 0.00 O ATOM 0 H GLY A 43 -7.508 3.770 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.558 2.706 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.477 3.351 -6.864 1.00 0.00 H new ATOM 662 N ASN A 44 -8.996 0.851 -8.188 1.00 0.00 N ATOM 663 CA ASN A 44 -9.370 -0.469 -8.670 1.00 0.00 C ATOM 664 C ASN A 44 -8.764 -1.562 -7.841 1.00 0.00 C ATOM 665 O ASN A 44 -9.460 -2.496 -7.429 1.00 0.00 O ATOM 666 CB ASN A 44 -9.034 -0.619 -10.146 1.00 0.00 C ATOM 667 CG ASN A 44 -10.046 0.089 -11.038 1.00 0.00 C ATOM 668 OD1 ASN A 44 -10.691 1.052 -10.628 1.00 0.00 O ATOM 669 ND2 ASN A 44 -10.193 -0.364 -12.247 1.00 0.00 N ATOM 0 H ASN A 44 -8.574 1.445 -8.902 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.450 -0.567 -8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.040 -0.214 -10.334 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.001 -1.677 -10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.856 0.081 -12.881 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.645 -1.165 -12.562 1.00 0.00 H new ATOM 676 N LYS A 45 -7.489 -1.446 -7.557 1.00 0.00 N ATOM 677 CA LYS A 45 -6.839 -2.393 -6.694 1.00 0.00 C ATOM 678 C LYS A 45 -7.374 -2.297 -5.285 1.00 0.00 C ATOM 679 O LYS A 45 -7.731 -3.283 -4.712 1.00 0.00 O ATOM 680 CB LYS A 45 -5.337 -2.219 -6.686 1.00 0.00 C ATOM 681 CG LYS A 45 -4.742 -2.239 -8.065 1.00 0.00 C ATOM 682 CD LYS A 45 -3.341 -2.834 -8.076 1.00 0.00 C ATOM 683 CE LYS A 45 -3.285 -4.262 -7.505 1.00 0.00 C ATOM 684 NZ LYS A 45 -4.109 -5.237 -8.269 1.00 0.00 N ATOM 0 H LYS A 45 -6.885 -0.705 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.060 -3.383 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.088 -1.275 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.887 -3.012 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.386 -2.816 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.707 -1.223 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.965 -2.844 -9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.676 -2.192 -7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.249 -4.601 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.624 -4.245 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.027 -6.178 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.104 -4.935 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.772 -5.281 -9.252 1.00 0.00 H new ATOM 698 N LEU A 46 -7.504 -1.086 -4.779 1.00 0.00 N ATOM 699 CA LEU A 46 -7.980 -0.831 -3.405 1.00 0.00 C ATOM 700 C LEU A 46 -9.389 -1.394 -3.172 1.00 0.00 C ATOM 701 O LEU A 46 -9.793 -1.681 -2.020 1.00 0.00 O ATOM 702 CB LEU A 46 -7.968 0.662 -3.148 1.00 0.00 C ATOM 703 CG LEU A 46 -6.594 1.335 -3.271 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.710 2.843 -3.179 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.628 0.803 -2.217 1.00 0.00 C ATOM 0 H LEU A 46 -7.285 -0.237 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.311 -1.339 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.653 1.141 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.356 0.845 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.194 1.089 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.720 3.290 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.348 3.209 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.145 3.116 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.662 1.296 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.027 1.004 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.503 -0.272 -2.347 1.00 0.00 H new ATOM 717 N LYS A 47 -10.129 -1.525 -4.249 1.00 0.00 N ATOM 718 CA LYS A 47 -11.444 -2.104 -4.235 1.00 0.00 C ATOM 719 C LYS A 47 -11.354 -3.633 -4.243 1.00 0.00 C ATOM 720 O LYS A 47 -12.169 -4.309 -3.631 1.00 0.00 O ATOM 721 CB LYS A 47 -12.259 -1.591 -5.427 1.00 0.00 C ATOM 722 CG LYS A 47 -12.567 -0.097 -5.354 1.00 0.00 C ATOM 723 CD LYS A 47 -12.929 0.507 -6.714 1.00 0.00 C ATOM 724 CE LYS A 47 -14.158 -0.138 -7.370 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.382 -0.023 -6.554 1.00 0.00 N ATOM 0 H LYS A 47 -9.824 -1.225 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.954 -1.803 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.712 -1.797 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.196 -2.145 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.392 0.065 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.702 0.427 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.113 1.574 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.076 0.406 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.331 0.329 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.951 -1.192 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.178 -0.462 -7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.240 -0.507 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.592 0.981 -6.383 1.00 0.00 H new ATOM 739 N ALA A 48 -10.315 -4.150 -4.873 1.00 0.00 N ATOM 740 CA ALA A 48 -10.080 -5.594 -4.987 1.00 0.00 C ATOM 741 C ALA A 48 -9.409 -6.147 -3.727 1.00 0.00 C ATOM 742 O ALA A 48 -9.197 -7.348 -3.593 1.00 0.00 O ATOM 743 CB ALA A 48 -9.247 -5.905 -6.220 1.00 0.00 C ATOM 0 H ALA A 48 -9.599 -3.582 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.048 -6.084 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.084 -6.981 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.773 -5.562 -7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.286 -5.396 -6.148 1.00 0.00 H new ATOM 749 N LEU A 49 -9.066 -5.257 -2.807 1.00 0.00 N ATOM 750 CA LEU A 49 -8.559 -5.659 -1.512 1.00 0.00 C ATOM 751 C LEU A 49 -9.743 -5.934 -0.592 1.00 0.00 C ATOM 752 O LEU A 49 -9.585 -6.283 0.565 1.00 0.00 O ATOM 753 CB LEU A 49 -7.632 -4.585 -0.882 1.00 0.00 C ATOM 754 CG LEU A 49 -6.113 -4.582 -1.249 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.428 -5.854 -0.836 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.851 -4.318 -2.704 1.00 0.00 C ATOM 0 H LEU A 49 -9.132 -4.248 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.956 -6.557 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.036 -3.607 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.708 -4.680 0.201 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.691 -3.752 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.374 -5.806 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.516 -5.981 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.896 -6.700 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.777 -4.330 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.331 -5.089 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.255 -3.343 -2.975 1.00 0.00 H new ATOM 768 N GLY A 50 -10.946 -5.682 -1.107 1.00 0.00 N ATOM 769 CA GLY A 50 -12.176 -5.962 -0.384 1.00 0.00 C ATOM 770 C GLY A 50 -12.437 -5.017 0.767 1.00 0.00 C ATOM 771 O GLY A 50 -13.506 -5.043 1.369 1.00 0.00 O ATOM 0 H GLY A 50 -11.090 -5.280 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.014 -5.913 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.138 -6.982 -0.002 1.00 0.00 H new ATOM 775 N MET A 51 -11.466 -4.184 1.075 1.00 0.00 N ATOM 776 CA MET A 51 -11.606 -3.250 2.167 1.00 0.00 C ATOM 777 C MET A 51 -12.467 -2.100 1.705 1.00 0.00 C ATOM 778 O MET A 51 -13.425 -1.727 2.365 1.00 0.00 O ATOM 779 CB MET A 51 -10.250 -2.769 2.656 1.00 0.00 C ATOM 780 CG MET A 51 -10.253 -1.921 3.950 1.00 0.00 C ATOM 781 SD MET A 51 -10.696 -2.822 5.466 1.00 0.00 S ATOM 782 CE MET A 51 -12.493 -2.806 5.452 1.00 0.00 C ATOM 0 H MET A 51 -10.573 -4.136 0.584 1.00 0.00 H new ATOM 0 HA MET A 51 -12.084 -3.743 3.013 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.615 -3.640 2.819 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.788 -2.182 1.862 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.263 -1.485 4.082 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.951 -1.094 3.821 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.863 -2.638 6.463 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.845 -2.007 4.799 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.863 -3.763 5.085 1.00 0.00 H new ATOM 792 N THR A 52 -12.124 -1.571 0.523 1.00 0.00 N ATOM 793 CA THR A 52 -12.876 -0.519 -0.193 1.00 0.00 C ATOM 794 C THR A 52 -13.168 0.717 0.681 1.00 0.00 C ATOM 795 O THR A 52 -14.102 1.460 0.417 1.00 0.00 O ATOM 796 CB THR A 52 -14.216 -1.096 -0.751 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.094 -1.504 0.305 1.00 0.00 O ATOM 798 CG2 THR A 52 -13.957 -2.291 -1.632 1.00 0.00 C ATOM 0 H THR A 52 -11.289 -1.870 0.018 1.00 0.00 H new ATOM 0 HA THR A 52 -12.239 -0.189 -1.014 1.00 0.00 H new ATOM 0 HB THR A 52 -14.686 -0.298 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.661 -1.346 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.904 -2.677 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.326 -1.995 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.454 -3.067 -1.055 1.00 0.00 H new ATOM 806 N SER A 53 -12.335 0.947 1.666 1.00 0.00 N ATOM 807 CA SER A 53 -12.542 2.018 2.613 1.00 0.00 C ATOM 808 C SER A 53 -12.412 3.377 1.937 1.00 0.00 C ATOM 809 O SER A 53 -11.347 3.731 1.426 1.00 0.00 O ATOM 810 CB SER A 53 -11.562 1.869 3.767 1.00 0.00 C ATOM 811 OG SER A 53 -11.693 2.908 4.718 1.00 0.00 O ATOM 0 H SER A 53 -11.493 0.397 1.835 1.00 0.00 H new ATOM 0 HA SER A 53 -13.556 1.957 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.723 0.909 4.256 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.544 1.861 3.378 1.00 0.00 H new ATOM 0 HG SER A 53 -10.805 3.182 5.028 1.00 0.00 H new ATOM 817 N SER A 54 -13.499 4.124 1.948 1.00 0.00 N ATOM 818 CA SER A 54 -13.586 5.418 1.298 1.00 0.00 C ATOM 819 C SER A 54 -12.573 6.391 1.914 1.00 0.00 C ATOM 820 O SER A 54 -11.904 7.165 1.199 1.00 0.00 O ATOM 821 CB SER A 54 -15.009 5.950 1.460 1.00 0.00 C ATOM 822 OG SER A 54 -15.958 4.954 1.082 1.00 0.00 O ATOM 0 H SER A 54 -14.361 3.844 2.416 1.00 0.00 H new ATOM 0 HA SER A 54 -13.352 5.318 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.177 6.248 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.143 6.841 0.846 1.00 0.00 H new ATOM 0 HG SER A 54 -16.865 5.308 1.192 1.00 0.00 H new ATOM 828 N GLN A 55 -12.437 6.299 3.224 1.00 0.00 N ATOM 829 CA GLN A 55 -11.524 7.114 3.991 1.00 0.00 C ATOM 830 C GLN A 55 -10.086 6.759 3.684 1.00 0.00 C ATOM 831 O GLN A 55 -9.247 7.647 3.472 1.00 0.00 O ATOM 832 CB GLN A 55 -11.852 6.967 5.490 1.00 0.00 C ATOM 833 CG GLN A 55 -10.820 7.498 6.478 1.00 0.00 C ATOM 834 CD GLN A 55 -9.971 6.389 7.075 1.00 0.00 C ATOM 835 OE1 GLN A 55 -10.332 5.808 8.096 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.843 6.122 6.497 1.00 0.00 N ATOM 0 H GLN A 55 -12.971 5.641 3.792 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.648 8.160 3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.797 7.475 5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.010 5.909 5.700 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.174 8.216 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.329 8.034 7.279 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.573 6.623 5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.225 5.411 6.888 1.00 0.00 H new ATOM 845 N ASP A 56 -9.798 5.476 3.644 1.00 0.00 N ATOM 846 CA ASP A 56 -8.438 5.029 3.418 1.00 0.00 C ATOM 847 C ASP A 56 -8.009 5.277 2.016 1.00 0.00 C ATOM 848 O ASP A 56 -6.901 5.726 1.797 1.00 0.00 O ATOM 849 CB ASP A 56 -8.204 3.573 3.806 1.00 0.00 C ATOM 850 CG ASP A 56 -8.300 3.334 5.291 1.00 0.00 C ATOM 851 OD1 ASP A 56 -7.410 3.796 6.038 1.00 0.00 O ATOM 852 OD2 ASP A 56 -9.296 2.728 5.732 1.00 0.00 O ATOM 0 H ASP A 56 -10.481 4.728 3.764 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.817 5.629 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.934 2.945 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.219 3.264 3.457 1.00 0.00 H new ATOM 857 N ARG A 57 -8.902 5.043 1.051 1.00 0.00 N ATOM 858 CA ARG A 57 -8.577 5.271 -0.357 1.00 0.00 C ATOM 859 C ARG A 57 -8.224 6.715 -0.633 1.00 0.00 C ATOM 860 O ARG A 57 -7.374 6.994 -1.462 1.00 0.00 O ATOM 861 CB ARG A 57 -9.671 4.824 -1.297 1.00 0.00 C ATOM 862 CG ARG A 57 -9.932 3.335 -1.295 1.00 0.00 C ATOM 863 CD ARG A 57 -10.674 2.945 -2.546 1.00 0.00 C ATOM 864 NE ARG A 57 -11.917 3.721 -2.704 1.00 0.00 N ATOM 865 CZ ARG A 57 -13.165 3.240 -2.786 1.00 0.00 C ATOM 866 NH1 ARG A 57 -13.388 1.934 -2.822 1.00 0.00 N ATOM 867 NH2 ARG A 57 -14.193 4.081 -2.850 1.00 0.00 N ATOM 0 H ARG A 57 -9.848 4.699 1.218 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.701 4.653 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.593 5.342 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.411 5.133 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.989 2.791 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.514 3.060 -0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.033 3.103 -3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.910 1.881 -2.513 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.816 4.735 -2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.605 1.282 -2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.343 1.581 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.030 5.088 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.145 3.719 -2.913 1.00 0.00 H new ATOM 881 N ALA A 58 -8.825 7.625 0.115 1.00 0.00 N ATOM 882 CA ALA A 58 -8.562 9.048 -0.049 1.00 0.00 C ATOM 883 C ALA A 58 -7.242 9.438 0.615 1.00 0.00 C ATOM 884 O ALA A 58 -6.818 10.594 0.560 1.00 0.00 O ATOM 885 CB ALA A 58 -9.706 9.869 0.527 1.00 0.00 C ATOM 0 H ALA A 58 -9.502 7.404 0.845 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.483 9.258 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.494 10.930 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.631 9.617 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.813 9.648 1.589 1.00 0.00 H new ATOM 891 N LEU A 59 -6.604 8.484 1.249 1.00 0.00 N ATOM 892 CA LEU A 59 -5.352 8.738 1.898 1.00 0.00 C ATOM 893 C LEU A 59 -4.231 7.946 1.246 1.00 0.00 C ATOM 894 O LEU A 59 -3.165 8.497 0.918 1.00 0.00 O ATOM 895 CB LEU A 59 -5.427 8.421 3.381 1.00 0.00 C ATOM 896 CG LEU A 59 -4.153 8.733 4.146 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.756 10.186 3.949 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.309 8.421 5.606 1.00 0.00 C ATOM 0 H LEU A 59 -6.937 7.523 1.326 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.135 9.800 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.250 8.985 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.663 7.364 3.504 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.359 8.100 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.841 10.392 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.588 10.377 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.554 10.834 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.382 8.654 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.120 9.019 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.539 7.363 5.729 1.00 0.00 H new ATOM 910 N VAL A 60 -4.476 6.660 1.035 1.00 0.00 N ATOM 911 CA VAL A 60 -3.511 5.773 0.399 1.00 0.00 C ATOM 912 C VAL A 60 -3.181 6.252 -1.007 1.00 0.00 C ATOM 913 O VAL A 60 -2.076 6.101 -1.466 1.00 0.00 O ATOM 914 CB VAL A 60 -3.985 4.275 0.367 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.349 4.127 -0.269 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.989 3.428 -0.370 1.00 0.00 C ATOM 0 H VAL A 60 -5.348 6.202 1.300 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.610 5.809 1.011 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.058 3.937 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.638 3.076 -0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.080 4.703 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.314 4.495 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.331 2.393 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.889 3.791 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.022 3.484 0.131 1.00 0.00 H new ATOM 926 N LYS A 61 -4.118 6.943 -1.613 1.00 0.00 N ATOM 927 CA LYS A 61 -3.985 7.382 -3.004 1.00 0.00 C ATOM 928 C LYS A 61 -2.901 8.423 -3.095 1.00 0.00 C ATOM 929 O LYS A 61 -2.096 8.444 -4.020 1.00 0.00 O ATOM 930 CB LYS A 61 -5.300 7.976 -3.523 1.00 0.00 C ATOM 931 CG LYS A 61 -5.242 8.391 -4.993 1.00 0.00 C ATOM 932 CD LYS A 61 -5.104 7.189 -5.917 1.00 0.00 C ATOM 933 CE LYS A 61 -6.414 6.433 -6.055 1.00 0.00 C ATOM 934 NZ LYS A 61 -7.432 7.253 -6.743 1.00 0.00 N ATOM 0 H LYS A 61 -4.993 7.221 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.731 6.516 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.097 7.244 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.561 8.844 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.145 8.945 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.400 9.066 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.771 7.522 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.336 6.519 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.248 5.511 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.779 6.148 -5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.176 6.635 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.851 7.924 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.986 7.778 -7.522 1.00 0.00 H new ATOM 948 N LYS A 62 -2.854 9.217 -2.073 1.00 0.00 N ATOM 949 CA LYS A 62 -1.927 10.304 -1.975 1.00 0.00 C ATOM 950 C LYS A 62 -0.580 9.758 -1.595 1.00 0.00 C ATOM 951 O LYS A 62 0.440 10.131 -2.145 1.00 0.00 O ATOM 952 CB LYS A 62 -2.420 11.303 -0.921 1.00 0.00 C ATOM 953 CG LYS A 62 -1.413 12.391 -0.566 1.00 0.00 C ATOM 954 CD LYS A 62 -1.973 13.394 0.442 1.00 0.00 C ATOM 955 CE LYS A 62 -3.151 14.194 -0.111 1.00 0.00 C ATOM 956 NZ LYS A 62 -2.766 15.054 -1.251 1.00 0.00 N ATOM 0 H LYS A 62 -3.471 9.128 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.848 10.821 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.333 11.774 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.682 10.757 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.514 11.931 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.116 12.918 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.290 12.862 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.182 14.081 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.936 13.507 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.570 14.813 0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.562 15.674 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.945 15.635 -0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.520 14.459 -2.067 1.00 0.00 H new ATOM 970 N LYS A 63 -0.603 8.832 -0.685 1.00 0.00 N ATOM 971 CA LYS A 63 0.600 8.252 -0.185 1.00 0.00 C ATOM 972 C LYS A 63 1.277 7.390 -1.226 1.00 0.00 C ATOM 973 O LYS A 63 2.452 7.455 -1.373 1.00 0.00 O ATOM 974 CB LYS A 63 0.325 7.416 1.023 1.00 0.00 C ATOM 975 CG LYS A 63 1.296 7.676 2.149 1.00 0.00 C ATOM 976 CD LYS A 63 1.071 9.036 2.782 1.00 0.00 C ATOM 977 CE LYS A 63 -0.286 9.127 3.489 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.390 10.387 4.249 1.00 0.00 N ATOM 0 H LYS A 63 -1.457 8.459 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 63 1.262 9.077 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.689 7.612 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.369 6.362 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.190 6.900 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.316 7.615 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.867 9.237 3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.131 9.807 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.090 9.071 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.410 8.278 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.845 10.203 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.561 10.777 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.960 11.071 3.711 1.00 0.00 H new ATOM 992 N LEU A 64 0.517 6.606 -1.960 1.00 0.00 N ATOM 993 CA LEU A 64 1.092 5.687 -2.933 1.00 0.00 C ATOM 994 C LEU A 64 1.780 6.438 -4.070 1.00 0.00 C ATOM 995 O LEU A 64 2.791 5.983 -4.606 1.00 0.00 O ATOM 996 CB LEU A 64 0.026 4.675 -3.443 1.00 0.00 C ATOM 997 CG LEU A 64 -1.060 5.174 -4.427 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.578 5.115 -5.870 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.353 4.394 -4.257 1.00 0.00 C ATOM 0 H LEU A 64 -0.501 6.583 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 64 1.867 5.105 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.555 3.852 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.482 4.262 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.260 6.218 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.367 5.473 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.305 5.744 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.327 4.086 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.098 4.766 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.168 3.337 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.722 4.519 -3.239 1.00 0.00 H new ATOM 1011 N LYS A 65 1.272 7.614 -4.386 1.00 0.00 N ATOM 1012 CA LYS A 65 1.837 8.382 -5.479 1.00 0.00 C ATOM 1013 C LYS A 65 3.078 9.154 -5.032 1.00 0.00 C ATOM 1014 O LYS A 65 3.886 9.577 -5.858 1.00 0.00 O ATOM 1015 CB LYS A 65 0.796 9.308 -6.124 1.00 0.00 C ATOM 1016 CG LYS A 65 0.249 10.380 -5.205 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.848 11.200 -5.861 1.00 0.00 C ATOM 1018 CE LYS A 65 -0.355 11.938 -7.092 1.00 0.00 C ATOM 1019 NZ LYS A 65 -1.402 12.792 -7.673 1.00 0.00 N ATOM 0 H LYS A 65 0.483 8.053 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 65 2.150 7.673 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.245 9.788 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.034 8.702 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.141 9.914 -4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.060 11.041 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.673 10.544 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.241 11.919 -5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.508 12.550 -6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.019 11.217 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.027 13.279 -8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.215 12.205 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.705 13.496 -6.970 1.00 0.00 H new ATOM 1033 N GLU A 66 3.230 9.339 -3.734 1.00 0.00 N ATOM 1034 CA GLU A 66 4.408 10.007 -3.211 1.00 0.00 C ATOM 1035 C GLU A 66 5.370 8.994 -2.619 1.00 0.00 C ATOM 1036 O GLU A 66 6.531 9.285 -2.427 1.00 0.00 O ATOM 1037 CB GLU A 66 4.048 11.055 -2.151 1.00 0.00 C ATOM 1038 CG GLU A 66 3.343 10.482 -0.938 1.00 0.00 C ATOM 1039 CD GLU A 66 3.071 11.498 0.137 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.111 12.292 0.009 1.00 0.00 O ATOM 1041 OE2 GLU A 66 3.822 11.532 1.137 1.00 0.00 O ATOM 0 H GLU A 66 2.559 9.039 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 66 4.885 10.521 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.959 11.557 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.411 11.813 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.399 10.038 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.950 9.678 -0.521 1.00 0.00 H new